General Information of the Compound
| Compound ID |
CP0529634
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| Compound Name |
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[[5-methyl-6-(1H-pyrazol-5-yl)pyridin-2-yl]methylamino]methyl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C23H24ClF2N5O
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| Molecular Weight |
459.928
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| Canonical SMILES |
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1-c1cc[nH]n1
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| InChI |
InChI=1S/C23H24ClF2N5O/c1-15-2-4-17(29-21(15)20-6-9-28-30-20)13-27-14-23(26)7-10-31(11-8-23)22(32)16-3-5-19(25)18(24)12-16/h2-6,9,12,27H,7-8,10-11,13-14H2,1H3,(H,28,30)
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| InChIKey |
JXXZENBEDPJPGF-UHFFFAOYSA-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