General Information of the Compound
| Compound ID |
CP0450893
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| Compound Name |
methyl 2-[6-(3-chlorophenyl)-4-oxo-7-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethylcarbamoyl]quinazolin-3-yl]acetate
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| Formula |
C28H23ClF3N3O5
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| Molecular Weight |
573.955
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| Canonical SMILES |
COC(=O)Cn1cnc2cc(C(=O)NCCOCc3ccc(cc3)C(F)(F)F)c(cc2c1=O)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C28H23ClF3N3O5/c1-39-25(36)14-35-16-34-24-13-22(21(12-23(24)27(35)38)18-3-2-4-20(29)11-18)26(37)33-9-10-40-15-17-5-7-19(8-6-17)28(30,31)32/h2-8,11-13,16H,9-10,14-15H2,1H3,(H,33,37)
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| InChIKey |
FKJLSHYJGTWJMZ-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