General Information of the Compound
| Compound ID |
CP0850979
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| Compound Name |
N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-1-phenyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C29H19F4N5O2S
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| Molecular Weight |
577.563
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| Canonical SMILES |
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5ccn(-c6ccccc6)c5C(F)(F)F)cc4F)c3s2)c1
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| InChI |
InChI=1S/C29H19F4N5O2S/c1-37-15-22(35-16-37)25-14-21-26(41-25)24(9-11-34-21)40-23-8-7-17(13-20(23)30)36-28(39)19-10-12-38(27(19)29(31,32)33)18-5-3-2-4-6-18/h2-16H,1H3,(H,36,39)
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| InChIKey |
IECAJDRYPXWHHV-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