General Information of the Compound
| Compound ID |
CP0054953
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| Compound Name |
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
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| Structure |
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| Formula |
C22H17F4N5O2
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| Molecular Weight |
459.403
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| Canonical SMILES |
CNCc1cc(Oc2ccc3n(ccc3c2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)ncn1
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| InChI |
InChI=1S/C22H17F4N5O2/c1-27-11-15-10-20(29-12-28-15)33-16-3-5-19-13(8-16)6-7-31(19)21(32)30-14-2-4-18(23)17(9-14)22(24,25)26/h2-10,12,27H,11H2,1H3,(H,30,32)
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| InChIKey |
OQCQXSQLVCYSLF-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