General Information of the Compound
| Compound ID |
CP0911147
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| Compound Name |
(S)-N-((R)-1-(4-(2,4-dimethoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C34H40N6O3
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| Molecular Weight |
580.733
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| Canonical SMILES |
COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3)=NNC2CCc2ccccc2)c(OC)c1
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| InChI |
InChI=1S/C34H40N6O3/c1-42-26-16-15-24(31(20-26)43-2)22-40-32(17-14-23-9-4-3-5-10-23)38-39-33(40)30(37-34(41)29-13-8-18-35-29)19-25-21-36-28-12-7-6-11-27(25)28/h3-7,9-12,15-16,20-21,29-30,32,35-36,38H,8,13-14,17-19,22H2,1-2H3,(H,37,41)/t29-,30+,32?/m0/s1
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| InChIKey |
DZLSIYVTHCUQRB-CVTMBVITSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound