General Information of the Compound
| Compound ID |
CP0480235
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| Compound Name |
4-(4-bromo-2-methylpyrazol-3-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-difluorobenzamide;hydrochloride
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| Formula |
C22H20BrClF4N4O
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| Molecular Weight |
547.778
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| Canonical SMILES |
Cl.Cn1ncc(Br)c1-c1cc(F)c(cc1F)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C22H19BrF4N4O.ClH/c1-31-21(15(23)9-29-31)13-7-18(26)14(8-17(13)25)22(32)30-20-10-28-5-4-12(20)11-2-3-16(24)19(27)6-11;/h2-3,6-9,12,20,28H,4-5,10H2,1H3,(H,30,32);1H/t12-,20+;/m0./s1
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| InChIKey |
QKEQHWMPHQVUQR-XVHUJMMASA-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