General Information of the Compound
| Compound ID |
CP0517892
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| Compound Name |
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methyl-6-pyrazol-1-ylpyridin-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-n1cccn1
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| InChI |
InChI=1S/C23H24ClF2N5O/c1-16-3-5-18(29-21(16)31-10-2-9-28-31)14-27-15-23(26)7-11-30(12-8-23)22(32)17-4-6-20(25)19(24)13-17/h2-6,9-10,13,27H,7-8,11-12,14-15H2,1H3
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| InChIKey |
VTOWCNHGZNRYSU-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