General Information of the Compound
| Compound ID |
CP0946596
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| Compound Name |
(R)-N-[2-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)ethylamino)-2-oxoethyl]-2-cyano-2-methylpropanamide
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| Formula |
C35H37N7O3
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| Molecular Weight |
603.727
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(C)(C)C#N)cc1
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| InChI |
InChI=1S/C35H37N7O3/c1-35(2,23-36)34(44)38-21-32(43)39-30(19-26-20-37-29-12-8-7-11-28(26)29)33-41-40-31(18-15-24-9-5-4-6-10-24)42(33)22-25-13-16-27(45-3)17-14-25/h4-14,16-17,20,30,37H,15,18-19,21-22H2,1-3H3,(H,38,44)(H,39,43)/t30-/m1/s1
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| InChIKey |
CZPINRJJFJMFSQ-SSEXGKCCSA-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