General Information of the Compound
| Compound ID |
CP0953830
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-2-hydroxybenzamide
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| Structure |
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| Formula |
C25H21F2N3O3
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| Molecular Weight |
449.457
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| Canonical SMILES |
N#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2ccccc2O)c1
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| InChI |
InChI=1S/C25H21F2N3O3/c26-17-6-8-24(20(27)14-17)33-18-9-11-30(12-10-18)22-7-5-16(15-28)13-21(22)29-25(32)19-3-1-2-4-23(19)31/h1-8,13-14,18,31H,9-12H2,(H,29,32)
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| InChIKey |
BJFUFFXWCYTXNH-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