General Information of the Compound
| Compound ID |
CP0538691
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| Compound Name |
N-[(1S,2R)-2-[[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1H-indole-3-carboxamide
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| Structure |
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| Formula |
C33H36N4O3
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| Molecular Weight |
536.676
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C33H36N4O3/c1-37(22-24-14-6-3-7-15-24)33(40)30(20-23-12-4-2-5-13-23)36-31(38)26-17-9-11-19-29(26)35-32(39)27-21-34-28-18-10-8-16-25(27)28/h2-8,10,12-16,18,21,26,29-30,34H,9,11,17,19-20,22H2,1H3,(H,35,39)(H,36,38)/t26-,29+,30+/m1/s1
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| InChIKey |
LNXGWXIKJNGNOY-POLDFPFKSA-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