General Information of the Compound
| Compound ID |
CP0408743
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| Compound Name |
N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
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| Structure |
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| Formula |
C27H28F3N5O4
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| Molecular Weight |
543.546
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCN(CC1)C(=O)C1CCC1
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| InChI |
InChI=1S/C27H28F3N5O4/c1-17-22-15-19(32-24(36)16-38-20-6-8-21(9-7-20)39-27(28,29)30)5-10-23(22)33-26(31-17)35-13-11-34(12-14-35)25(37)18-3-2-4-18/h5-10,15,18H,2-4,11-14,16H2,1H3,(H,32,36)
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| InChIKey |
CZHSVOUPKZDEAX-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