General Information of the Compound
| Compound ID |
CP0486977
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| Compound Name |
N-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]-4-fluorobenzamide
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| Structure |
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| Formula |
C20H21Cl2FN2O
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| Molecular Weight |
395.305
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C20H21Cl2FN2O/c21-16-10-5-13(11-17(16)22)12-24-18-3-1-2-4-19(18)25-20(26)14-6-8-15(23)9-7-14/h5-11,18-19,24H,1-4,12H2,(H,25,26)/t18-,19+/m0/s1
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| InChIKey |
MDTLZKIWQOHXLR-RBUKOAKNSA-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