General Information of the Compound
| Compound ID |
CP0474587
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| Compound Name |
N-[4-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]quinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
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| Structure |
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| Formula |
C26H28F3N5O4
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| Molecular Weight |
531.535
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| Canonical SMILES |
CC(C)C(=O)N1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
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| InChI |
InChI=1S/C26H28F3N5O4/c1-16(2)24(36)33-10-12-34(13-11-33)25-30-17(3)21-14-18(4-9-22(21)32-25)31-23(35)15-37-19-5-7-20(8-6-19)38-26(27,28)29/h4-9,14,16H,10-13,15H2,1-3H3,(H,31,35)
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| InChIKey |
TZZOHEWIWJHRCC-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