General Information of the Compound
| Compound ID |
CP0410966
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| Compound Name |
4-fluoro-N-[(1S,2R)-2-(1H-indol-3-ylmethylamino)cyclohexyl]benzamide
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| Structure |
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| Formula |
C22H24FN3O
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| Molecular Weight |
365.452
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)N[C@H]1CCCC[C@H]1NCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C22H24FN3O/c23-17-11-9-15(10-12-17)22(27)26-21-8-4-3-7-20(21)25-14-16-13-24-19-6-2-1-5-18(16)19/h1-2,5-6,9-13,20-21,24-25H,3-4,7-8,14H2,(H,26,27)/t20-,21+/m1/s1
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| InChIKey |
KCYOCCOLGUUYQZ-RTWAWAEBSA-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