General Information of the Compound
| Compound ID |
CP0480237
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| Compound Name |
N-[(3S,4S)-4-(3,5-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]1c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C22H21F3N4O.ClH/c1-29-21(5-7-27-29)18-3-2-13(10-19(18)25)22(30)28-20-12-26-6-4-17(20)14-8-15(23)11-16(24)9-14;/h2-3,5,7-11,17,20,26H,4,6,12H2,1H3,(H,28,30);1H/t17-,20+;/m0./s1
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| InChIKey |
DYCBGACSHAOWAG-YFUYRHFLSA-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
Protein ID: PT00845, RAC-alpha serine/threonine-protein kinase
Protein ID: PT01131, RAC-beta serine/threonine-protein kinase