General Information of the Compound
| Compound ID |
CP0115746
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| Compound Name |
4-chloro-2-[[(1S,2S)-2-[(1-phenylpiperidine-4-carbonyl)amino]cyclopentyl]methylamino]benzoic acid
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| Structure |
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| Formula |
C25H30ClN3O3
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| Molecular Weight |
455.986
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| Canonical SMILES |
OC(=O)c1ccc(Cl)cc1NC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C25H30ClN3O3/c26-19-9-10-21(25(31)32)23(15-19)27-16-18-5-4-8-22(18)28-24(30)17-11-13-29(14-12-17)20-6-2-1-3-7-20/h1-3,6-7,9-10,15,17-18,22,27H,4-5,8,11-14,16H2,(H,28,30)(H,31,32)/t18-,22-/m0/s1
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| InChIKey |
HSVCYLPZDHBUAU-AVRDEDQJSA-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