General Information of the Compound
| Compound ID |
CP0418906
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| Compound Name |
2-chloro-4-(4-chloro-2-methylpyrazol-3-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-fluorobenzamide;hydrochloride
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| Formula |
C22H20Cl3F3N4O
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| Molecular Weight |
519.782
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| Canonical SMILES |
Cl.Cn1ncc(Cl)c1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(Cl)c1
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| InChI |
InChI=1S/C22H19Cl2F3N4O.ClH/c1-31-21(15(24)9-29-31)12-6-14(23)20(18(27)8-12)22(32)30-19-10-28-5-4-13(19)11-2-3-16(25)17(26)7-11;/h2-3,6-9,13,19,28H,4-5,10H2,1H3,(H,30,32);1H/t13-,19+;/m0./s1
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| InChIKey |
XQQANTLXYIQICD-IBFMDKPJSA-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