General Information of the Compound
| Compound ID |
CP0127132
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| Compound Name |
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
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| Structure |
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| Formula |
C22H18F3N5O2
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| Molecular Weight |
441.413
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| Canonical SMILES |
CNCc1cc(Oc2ccc3n(ccc3c2)C(=O)Nc2cccc(c2)C(F)(F)F)ncn1
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| InChI |
InChI=1S/C22H18F3N5O2/c1-26-12-17-11-20(28-13-27-17)32-18-5-6-19-14(9-18)7-8-30(19)21(31)29-16-4-2-3-15(10-16)22(23,24)25/h2-11,13,26H,12H2,1H3,(H,29,31)
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| InChIKey |
LKIVAEYQGVYZTP-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