General Information of the Compound
| Compound ID |
CP0469031
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| Compound Name |
3,4-difluoro-N-[(1R,2R)-2-(1H-indol-3-ylmethylamino)cyclopentyl]benzamide
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| Structure |
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| Formula |
C21H21F2N3O
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| Molecular Weight |
369.415
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| Canonical SMILES |
Fc1ccc(cc1F)C(=O)N[C@@H]1CCC[C@H]1NCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C21H21F2N3O/c22-16-9-8-13(10-17(16)23)21(27)26-20-7-3-6-19(20)25-12-14-11-24-18-5-2-1-4-15(14)18/h1-2,4-5,8-11,19-20,24-25H,3,6-7,12H2,(H,26,27)/t19-,20-/m1/s1
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| InChIKey |
GCOWIJVNLKUCDS-WOJBJXKFSA-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