General Information of the Compound
| Compound ID |
CP0907361
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| Compound Name |
N-((3S,4S)-4-(3,4-Difluorophenyl)piperidin-3-yl)-2-fluoro-4-(1H-pyrazol-5-yl)benzamide Hydrochloride
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| Formula |
C21H20ClF3N4O
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| Molecular Weight |
436.865
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| Canonical SMILES |
Cl.O=C(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2ccn[nH]2)cc1F
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| InChI |
InChI=1S/C21H19F3N4O.ClH/c22-16-4-2-12(9-18(16)24)14-5-7-25-11-20(14)27-21(29)15-3-1-13(10-17(15)23)19-6-8-26-28-19;/h1-4,6,8-10,14,20,25H,5,7,11H2,(H,26,28)(H,27,29);1H/t14-,20+;/m0./s1
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| InChIKey |
ZSERDFOHJYEUPE-OWKALNPCSA-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