General Information of the Compound
| Compound ID |
CP0533998
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| Compound Name |
N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluoro-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride
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| Formula |
C22H22ClF3N4O
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| Molecular Weight |
450.892
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| Canonical SMILES |
Cl.Cn1nccc1-c1ccc(cc1F)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C22H21F3N4O.ClH/c1-29-21(7-9-27-29)16-4-2-14(11-18(16)24)22(30)28-20-12-26-8-6-15(20)13-3-5-17(23)19(25)10-13;/h2-5,7,9-11,15,20,26H,6,8,12H2,1H3,(H,28,30);1H/t15-,20+;/m0./s1
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| InChIKey |
HUTWUKJEYGWLCK-ICCPGPOKSA-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