General Information of the Compound
| Compound ID |
CP0515630
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| Compound Name |
N-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C23H23Cl2N3O
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| Molecular Weight |
428.363
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| Canonical SMILES |
Clc1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc3ccccc3n2)cc1Cl
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| InChI |
InChI=1S/C23H23Cl2N3O/c24-17-11-9-15(13-18(17)25)14-26-20-7-3-4-8-21(20)28-23(29)22-12-10-16-5-1-2-6-19(16)27-22/h1-2,5-6,9-13,20-21,26H,3-4,7-8,14H2,(H,28,29)/t20-,21+/m0/s1
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| InChIKey |
UQVWDVRFHVVWFZ-LEWJYISDSA-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