General Information of the Compound
| Compound ID |
CP0491423
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| Compound Name |
N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-6-methylpyridine-2-carboxamide
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| Structure |
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| Formula |
C35H34N6O2
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| Molecular Weight |
570.697
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(C)n2)cc1
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| InChI |
InChI=1S/C35H34N6O2/c1-24-9-8-14-31(37-24)35(42)38-32(21-27-22-36-30-13-7-6-12-29(27)30)34-40-39-33(20-17-25-10-4-3-5-11-25)41(34)23-26-15-18-28(43-2)19-16-26/h3-16,18-19,22,32,36H,17,20-21,23H2,1-2H3,(H,38,42)/t32-/m1/s1
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| InChIKey |
GMBCTBIYBRKBRT-JGCGQSQUSA-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