General Information of the Compound
| Compound ID |
CP0450892
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| Compound Name |
6-(3-fluorophenyl)-4-oxo-N-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3H-quinazoline-7-carboxamide
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| Formula |
C25H19F4N3O3
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| Molecular Weight |
485.437
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| Canonical SMILES |
Fc1cccc(c1)-c1cc2c(cc1C(=O)NCCOCc1ccc(cc1)C(F)(F)F)nc[nH]c2=O
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| InChI |
InChI=1S/C25H19F4N3O3/c26-18-3-1-2-16(10-18)19-11-21-22(31-14-32-24(21)34)12-20(19)23(33)30-8-9-35-13-15-4-6-17(7-5-15)25(27,28)29/h1-7,10-12,14H,8-9,13H2,(H,30,33)(H,31,32,34)
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| InChIKey |
RWMVBVZFQLBOPF-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