General Information of the Compound
| Compound ID |
CP0493626
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| Compound Name |
N-[(1S,2R)-2-[[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]cyclohexyl]-1H-indole-3-carboxamide
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| Structure |
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| Formula |
C37H38N4O3
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| Molecular Weight |
586.736
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C37H38N4O3/c1-41(24-25-11-3-2-4-12-25)37(44)34(22-26-19-20-27-13-5-6-14-28(27)21-26)40-35(42)30-16-8-10-18-33(30)39-36(43)31-23-38-32-17-9-7-15-29(31)32/h2-7,9,11-15,17,19-21,23,30,33-34,38H,8,10,16,18,22,24H2,1H3,(H,39,43)(H,40,42)/t30-,33+,34+/m1/s1
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| InChIKey |
LOQZSBGQNIRLDR-RDKKHIPBSA-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