General Information of the Compound
| Compound ID |
CP0931301
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| Compound Name |
N-(5-cyano-2-(4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl)phenyl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C26H24FN5O4
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| Molecular Weight |
489.507
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| Canonical SMILES |
COc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3NC(=O)c3cccnc3OC)CC2)c(F)c1
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| InChI |
InChI=1S/C26H24FN5O4/c1-35-18-6-7-19(21(27)15-18)26(34)32-12-10-31(11-13-32)23-8-5-17(16-28)14-22(23)30-24(33)20-4-3-9-29-25(20)36-2/h3-9,14-15H,10-13H2,1-2H3,(H,30,33)
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| InChIKey |
IORQQDMSBXAXOX-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