General Information of the Compound
| Compound ID |
CP0546444
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| Compound Name |
N-[(1R,2S)-2-[[4-(diethylamino)phenyl]methylamino]cyclohexyl]-4-fluorobenzamide
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| Structure |
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| Formula |
C24H32FN3O
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| Molecular Weight |
397.538
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| Canonical SMILES |
CCN(CC)c1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C24H32FN3O/c1-3-28(4-2)21-15-9-18(10-16-21)17-26-22-7-5-6-8-23(22)27-24(29)19-11-13-20(25)14-12-19/h9-16,22-23,26H,3-8,17H2,1-2H3,(H,27,29)/t22-,23+/m0/s1
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| InChIKey |
HSSWFAAFUJYLHB-XZOQPEGZSA-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