General Information of the Compound
| Compound ID |
CP0959402
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| Compound Name |
1H-Indole-3-carboxylic acid {(1S,2R)-2-[(S)-2-(benzyl-methyl-amino)-1-naphthalen-2-ylmethyl-ethylcarbamoyl]-cyclohexyl}-amide hydrochloride
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| Structure |
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| Formula |
C37H41ClN4O2
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| Molecular Weight |
609.214
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| Canonical SMILES |
CN(Cc1ccccc1)C[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccccc12.Cl
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| InChI |
InChI=1S/C37H40N4O2.ClH/c1-41(24-26-11-3-2-4-12-26)25-30(22-27-19-20-28-13-5-6-14-29(28)21-27)39-36(42)32-16-8-10-18-35(32)40-37(43)33-23-38-34-17-9-7-15-31(33)34;/h2-7,9,11-15,17,19-21,23,30,32,35,38H,8,10,16,18,22,24-25H2,1H3,(H,39,42)(H,40,43);1H/t30-,32+,35-;/m0./s1
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| InChIKey |
DKTZNYGMUSJZJP-KEXUGZGBSA-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