General Information of the Compound
| Compound ID |
CP0469350
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| Compound Name |
3-[[6-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]phenol
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| Structure |
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| Formula |
C21H15F3N4O
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| Molecular Weight |
396.372
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| Canonical SMILES |
Nc1ccc2nc(nc(Nc3cccc(O)c3)c2c1)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H15F3N4O/c22-21(23,24)13-4-1-3-12(9-13)19-27-18-8-7-14(25)10-17(18)20(28-19)26-15-5-2-6-16(29)11-15/h1-11,29H,25H2,(H,26,27,28)
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| InChIKey |
RKKVMVQIMVDXMA-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