General Information of the Compound
| Compound ID |
CP0526170
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| Compound Name |
N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
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| Structure |
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| Formula |
C27H30F3N5O3
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| Molecular Weight |
529.563
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1
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| InChI |
InChI=1S/C27H30F3N5O3/c1-18-23-16-19(32-25(36)17-37-21-5-7-22(8-6-21)38-27(28,29)30)4-9-24(23)33-26(31-18)35-14-10-20(11-15-35)34-12-2-3-13-34/h4-9,16,20H,2-3,10-15,17H2,1H3,(H,32,36)
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| InChIKey |
UGBAVCHVXLWGAY-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