General Information of the Compound
| Compound ID |
CP0540133
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| Compound Name |
4-[[[(1S,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]amino]methyl]benzoic acid
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| Structure |
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| Formula |
C21H23FN2O3
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| Molecular Weight |
370.424
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| Canonical SMILES |
OC(=O)c1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C21H23FN2O3/c22-17-11-9-15(10-12-17)20(25)24-19-4-2-1-3-18(19)23-13-14-5-7-16(8-6-14)21(26)27/h5-12,18-19,23H,1-4,13H2,(H,24,25)(H,26,27)/t18-,19+/m0/s1
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| InChIKey |
BEVSHJAHVBSZBK-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