General Information of the Compound
| Compound ID |
CP0440474
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| Compound Name |
N-[(1S,2R)-2-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1H-indole-3-carboxamide
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| Structure |
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| Formula |
C32H34N4O3
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| Molecular Weight |
522.649
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| Canonical SMILES |
O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C32H34N4O3/c37-30(25-16-8-10-18-28(25)35-31(38)26-21-33-27-17-9-7-15-24(26)27)36-29(19-22-11-3-1-4-12-22)32(39)34-20-23-13-5-2-6-14-23/h1-7,9,11-15,17,21,25,28-29,33H,8,10,16,18-20H2,(H,34,39)(H,35,38)(H,36,37)/t25-,28+,29+/m1/s1
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| InChIKey |
HCKXMTSBKOYSJY-IGBKUBFESA-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