General Information of the Compound
| Compound ID |
CP0538322
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| Compound Name |
1-[2-(1H-indol-2-yl)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C21H15F3N4O2
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| Molecular Weight |
412.371
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)Nc2cccnc2-c2cc3ccccc3[nH]2)cc1
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| InChI |
InChI=1S/C21H15F3N4O2/c22-21(23,24)30-15-9-7-14(8-10-15)26-20(29)28-17-6-3-11-25-19(17)18-12-13-4-1-2-5-16(13)27-18/h1-12,27H,(H2,26,28,29)
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| InChIKey |
YAQQFZJUENSVRR-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