General Information of the Compound
| Compound ID |
CP0533997
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| Compound Name |
N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-(2-ethylpyrazol-3-yl)-2-fluorobenzamide;hydrochloride
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| Formula |
C23H24ClF3N4O
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| Molecular Weight |
464.919
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| Canonical SMILES |
Cl.CCn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1
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| InChI |
InChI=1S/C23H23F3N4O.ClH/c1-2-30-22(8-10-28-30)15-3-5-17(19(25)12-15)23(31)29-21-13-27-9-7-16(21)14-4-6-18(24)20(26)11-14;/h3-6,8,10-12,16,21,27H,2,7,9,13H2,1H3,(H,29,31);1H/t16-,21+;/m0./s1
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| InChIKey |
USOWJIGJTLUZGC-SWSMCDPZSA-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