General Information of the Compound
| Compound ID |
CP0497095
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| Compound Name |
N-[1-[[(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)C1(CCCCC1)NC(=O)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C37H38N4O3/c1-41(25-26-12-4-2-5-13-26)35(43)33(23-27-18-19-28-14-6-7-15-29(28)22-27)39-36(44)37(20-10-3-11-21-37)40-34(42)31-24-38-32-17-9-8-16-30(31)32/h2,4-9,12-19,22,24,33,38H,3,10-11,20-21,23,25H2,1H3,(H,39,44)(H,40,42)/t33-/m0/s1
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| InChIKey |
IGAXDMFXJYIUIV-XIFFEERXSA-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