General Information of the Compound
| Compound ID |
CP0557802
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| Compound Name |
4-oxo-6-[3-(trifluoromethyl)phenyl]-N-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3H-quinazoline-7-carboxamide
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| Formula |
C26H19F6N3O3
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| Molecular Weight |
535.444
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| Canonical SMILES |
FC(F)(F)c1ccc(COCCNC(=O)c2cc3nc[nH]c(=O)c3cc2-c2cccc(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C26H19F6N3O3/c27-25(28,29)17-6-4-15(5-7-17)13-38-9-8-33-23(36)20-12-22-21(24(37)35-14-34-22)11-19(20)16-2-1-3-18(10-16)26(30,31)32/h1-7,10-12,14H,8-9,13H2,(H,33,36)(H,34,35,37)
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| InChIKey |
ZBGLQGLFVXNVNP-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