General Information of the Compound
| Compound ID |
CP0497268
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| Compound Name |
N-[(1S,2R)-2-[[(1S)-2-naphthalen-2-yl-1-[(2-phenylacetyl)amino]ethyl]carbamoyl]cyclohexyl]-1H-indole-3-carboxamide
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| Structure |
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| Formula |
C36H36N4O3
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| Molecular Weight |
572.709
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| Canonical SMILES |
O=C(Cc1ccccc1)N[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C36H36N4O3/c41-34(22-24-10-2-1-3-11-24)39-33(21-25-18-19-26-12-4-5-13-27(26)20-25)40-35(42)29-15-7-9-17-32(29)38-36(43)30-23-37-31-16-8-6-14-28(30)31/h1-6,8,10-14,16,18-20,23,29,32-33,37H,7,9,15,17,21-22H2,(H,38,43)(H,39,41)(H,40,42)/t29-,32+,33+/m1/s1
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| InChIKey |
LRSIEKVEWAVZDJ-CDSZWMAJSA-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