General Information of the Compound
| Compound ID |
CP0439861
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| Compound Name |
1-[2-(3,3-dimethyl-2H-indol-1-yl)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C23H21F3N4O2
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| Molecular Weight |
442.441
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| Canonical SMILES |
CC1(C)CN(c2ccccc12)c1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C23H21F3N4O2/c1-22(2)14-30(19-8-4-3-6-17(19)22)20-18(7-5-13-27-20)29-21(31)28-15-9-11-16(12-10-15)32-23(24,25)26/h3-13H,14H2,1-2H3,(H2,28,29,31)
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| InChIKey |
ZAPYCZXUTQRITJ-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