General Information of the Compound
| Compound ID |
CP0553130
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| Compound Name |
N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-difluoro-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride
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| Formula |
C22H21ClF4N4O
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| Molecular Weight |
468.882
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| Canonical SMILES |
Cl.Cn1nccc1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1
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| InChI |
InChI=1S/C22H20F4N4O.ClH/c1-30-20(5-7-28-30)13-9-17(25)21(18(26)10-13)22(31)29-19-11-27-6-4-14(19)12-2-3-15(23)16(24)8-12;/h2-3,5,7-10,14,19,27H,4,6,11H2,1H3,(H,29,31);1H/t14-,19+;/m0./s1
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| InChIKey |
LHVOCOLJHWPKEJ-OWRLQCHVSA-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