General Information of the Compound
| Compound ID |
CP0573226
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| Compound Name |
2,6-difluoro-N-[(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]-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-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)cc2)c(F)c1
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| InChI |
InChI=1S/C22H21F3N4O.ClH/c1-29-20(7-9-27-29)14-10-17(24)21(18(25)11-14)22(30)28-19-12-26-8-6-16(19)13-2-4-15(23)5-3-13;/h2-5,7,9-11,16,19,26H,6,8,12H2,1H3,(H,28,30);1H/t16-,19+;/m0./s1
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| InChIKey |
XZTPTGZNCSMLOS-ZKKBRJJYSA-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