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基于 PubChem CID 索引，支持名称 / 同义词 / CAS / SMILES 检索。
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N-[(2S,3S)-2,3-diphenylaziridin-1-yl]-1-[1-(hex-5-en-1-yl)-5,6-dimethyl-1H-1,3-benzodiazol-2-yl]methanimine PubChem CID 134849773
C=CCCCCn1c(/C=N/N2[C@@H](c3ccccc3)[C@@H]2c2ccccc2)nc2cc(C)c(C)cc21 -
(4R)-2-benzoyl-3,5-dihydroxy-4-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-4,6-bis(3-methylbut-2-en-1- PubChem CID 134946413
C=C(C)C(CC=C(C)C)C[C@]1(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)/C(=C(\O)c2ccccc2)C1=O -
(Z,3Z)-1,1,6-trifluoro-1-[6-[2-(4-fluorocyclohexa-1,3-dien-5-yn-1-yl)ethynyl]pyridazin-3-yl]-3-(1-fluoroethylidene PubChem CID 135245924
C/C(F)=C(\C=C/CF)C(O)(Cn1cnnn1)C(F)(F)c1ccc(C#Cc2c#cc(F)cc2)nn1 -
(2R,3S)-N-[2-[[(2S)-1-[[1-amino-6-(hex-5-ynoylamino)-1-oxohexan-2-yl]amino]-3-(4-benzoylphenyl)-1-oxopropan PubChem CID 135777055
C#CCCCC(=O)NCCCCC(NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)CNC(=O)[C@@H](CC(C)C)[C@H](O)C(=O)NO)C(N)=O -
6-amino-3-{6-[1-(7-hydroxy-2-oxo-2H-chromen-3-yl)-1H-1,2,3-triazol-4-yl]hex-1-yn-1-yl}-1-[(2R,4S,5R)- PubChem CID 135921537
Nc1nc2c(c(C#CCCCCc3cn(-c4cc5ccc(O)cc5oc4=O)nn3)nn2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1 -
2-amino-7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(6-{1-[(pyren-1-yl)methyl]-1H-1,2,3-triazol PubChem CID 135956962
Nc1nc2c(c(C#CCCCCc3cn(Cc4ccc5ccc6cccc7ccc4c5c67)nn3)cn2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1 -
(3R)-3-[[(2S)-1-[[1-amino-6-(hex-5-ynoylamino)-1-oxohexan-2-yl]amino]-3-(4-benzoylphenyl)-1-oxopropan PubChem CID 136159248
C#CCCCC(=O)NCCCCC(NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@H](CC(=O)O)CC(=O)NO)C(N)=O -
1-(4-Fluorophenyl)-2-[(morpholin-4-yl)methyl]hex-5-yn-1-one--hydrogen chloride (1/1) CAS 29229-75-2 PubChem CID 138398961
C#CCCC(CN1CCOCC1)C(=O)c1ccc(F)cc1.Cl -
Cl.OCC#CCCCN1CCCCC1 -
beta-D-erythro-Hex-2-enopyranuronic acid, 1-(4-amino-5-(hydroxymethyl)-2-oxo-1(2H)-pyrimidinyl)-4-((5 CAS 113667-06-4 PubChem CID 139588987
CC(C)C[C@H](N)C(=O)N[C@H](CCN(C)C(=N)N)CC(=O)N[C@@H]1C=C[C@@H](n2cc(CO)c(N)nc2=O)O[C@H]1C(=O)O -
1-[(Z,1R,3Z)-3-ethylidene-1-[3-fluoro-5-[1-fluoro-1,2-bis(phosphanyl)propan-2-yl]oxyphenyl]-1-(4-fluorophenyl PubChem CID 143472437
C/C=C\C(=C/C)C[C@@](NC(=O)Nc1ccc(C(F)(F)F)cn1)(c1ccc(F)cc1)c1cc(F)cc(OC(C)(P)C(F)P)c1 -
tert-ButylN-{(1S)-1-[((1S)-1-{4-cyano-5-[methyl(prop-2-en-1-yl)amino]-1,3-oxazol-2-yl}-2,2-dimethylpropyl PubChem CID 146048380
C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1nc(C#N)c(N(C)CC=C)o1)C(C)(C)C -
(S)-3-((E)-3,7-dimethylocta-2,6-dien-1-yl)-3-((E)-hex-1-en-1-yl)-1-(4-methoxyphenyl)pyrrolidin-2-one PubChem CID 154732596
CCCC/C=C/[C@]1(C/C=C(\C)CCC=C(C)C)CCN(c2ccc(OC)cc2)C1=O -
2-[[2-(1-amino-2,2-difluoroethyl)-4,4-difluoro-3-bicyclo[3.1.0]hex-2-enyl]amino]-N-[1-[3-[4-chloro-3- PubChem CID 161534879
CC(C)(C#Cc1ccc(-c2ccc(Cl)c3c(NS(=O)(=O)C4CC4)nn(CC(F)F)c23)c(C(Cc2cc(F)cc(F)c2)NC(=O)CNC2=C(C(N)C(F)F)C3CC3C2(F)F)n1)S(C)(=O)=O -
3-Pyridinecarboxamide, 2-amino-N-(4-hydroxybicyclo[2.2.2]oct-1-yl)-5-[4-[(1R,5S)-3-(tetrahydro-2H-pyran CAS 2173390-29-7 PubChem CID 162623634
Nc1ncc(-c2ccc([C@@]34C[C@@H]3CN(C3CCOCC3)C4)cc2)cc1C(=O)NC12CCC(O)(CC1)CC2.O.O.O=C(O)/C=C/C(=O)O -
N-((S)-1-(((S)-1-((4-(Hydroxymethyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)amino)-3-methyl-1-oxobutan CAS 2748039-76-9 PubChem CID 163297097
C#CCCCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1)C(C)C -
3-[(1E,3E)-6-(acetyloxy)-3-{2-[(3E)-9-butoxy-2-butyl-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10 PubChem CID 165946881
CCCCOc1ccc2c3c(cccc13)C(/C=C/C(=C/C=c1\c3cccc4c(OCCCC)ccc(c43)n1CCCC)CCCOC(C)=O)=[N+]2CCCC.[Cl-] -
(Ra)-(E)-1-((3S,5S)-adamantan-1-yl)-2-(dimethyl(oxo)-l6-sulfaneylidene)-5,5-dimethyl-3-(1H-pyrazol-1- PubChem CID 170854783
CC(C)(C)/C=C(\C(C(=O)C12CC3CC(CC(C3)C1)C2)=S(C)(C)=O)n1cccn1 -
(Ra)-(E)-2-(dimethyl(oxo)-l6-sulfaneylidene)-5,5-dimethyl-1-(1-phenylcyclobutyl)-3-(1H-pyrazol-1-yl)hex PubChem CID 170854787
CC(C)(C)/C=C(\C(C(=O)C1(c2ccccc2)CCC1)=S(C)(C)=O)n1cccn1 -
(Ra)-(E)-2-(dimethyl(oxo)-l6-sulfaneylidene)-5,5-dimethyl-1-(1-phenylcyclopentyl)-3-(1H-pyrazol-1-yl) PubChem CID 170854788
CC(C)(C)/C=C(\C(C(=O)C1(c2ccccc2)CCCC1)=S(C)(C)=O)n1cccn1