General Information of the Compound
| Compound ID |
CP0426913
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| Compound Name |
5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]quinazoline-2,4-dione
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| Structure |
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| Formula |
C26H23F3N2O4
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| Molecular Weight |
484.474
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| Canonical SMILES |
Cn1c2ccc(-c3cccc(OC(F)(F)F)c3)c(Cc3ccccc3)c2c(=O)n(CCCO)c1=O
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| InChI |
InChI=1S/C26H23F3N2O4/c1-30-22-12-11-20(18-9-5-10-19(16-18)35-26(27,28)29)21(15-17-7-3-2-4-8-17)23(22)24(33)31(25(30)34)13-6-14-32/h2-5,7-12,16,32H,6,13-15H2,1H3
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| InChIKey |
XGQMAQHQMRPRKK-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