General Information of the Compound
| Compound ID |
CP0956828
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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]-6-cyanonicotinamide
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| Formula |
C37H34N8O3
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| Molecular Weight |
638.732
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)c2ccc(C#N)nc2)cc1
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| InChI |
InChI=1S/C37H34N8O3/c1-48-30-16-11-26(12-17-30)24-45-34(18-13-25-7-3-2-4-8-25)43-44-36(45)33(19-28-22-40-32-10-6-5-9-31(28)32)42-35(46)23-41-37(47)27-14-15-29(20-38)39-21-27/h2-12,14-17,21-22,33,40H,13,18-19,23-24H2,1H3,(H,41,47)(H,42,46)/t33-/m1/s1
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| InChIKey |
GBUHKEMVTLXWIC-MGBGTMOVSA-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