General Information of the Compound
| Compound ID |
CP0906079
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| Compound Name |
(S)-N-((R)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-aminopropanamide
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| Structure |
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| Formula |
C31H36N6O2
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| Molecular Weight |
524.669
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| Canonical SMILES |
COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](C)N)=NNC2CCc2ccccc2)cc1
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| InChI |
InChI=1S/C31H36N6O2/c1-21(32)31(38)34-28(18-24-19-33-27-11-7-6-10-26(24)27)30-36-35-29(17-14-22-8-4-3-5-9-22)37(30)20-23-12-15-25(39-2)16-13-23/h3-13,15-16,19,21,28-29,33,35H,14,17-18,20,32H2,1-2H3,(H,34,38)/t21-,28-,29?/m1/s1
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| InChIKey |
JRHVNIXTOASGKA-ZHCBNKOXSA-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