General Information of the Compound
| Compound ID |
CP0522237
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| Compound Name |
(3S)-N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}ethyl]piperidine-3-carboxamide
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| Structure |
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| Formula |
C34H38N6O2
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| Molecular Weight |
562.718
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCNC2)cc1
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| InChI |
InChI=1S/C34H38N6O2/c1-42-28-16-13-25(14-17-28)23-40-32(18-15-24-8-3-2-4-9-24)38-39-33(40)31(37-34(41)26-10-7-19-35-21-26)20-27-22-36-30-12-6-5-11-29(27)30/h2-6,8-9,11-14,16-17,22,26,31,35-36H,7,10,15,18-21,23H2,1H3,(H,37,41)/t26-,31+/m0/s1
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| InChIKey |
JEBWQRLWYAVSFG-SUYBVONHSA-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