General Information of the Compound
| Compound ID |
CP0536566
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| Compound Name |
1-[4-methyl-6-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]quinazolin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C27H30F3N5O4
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| Molecular Weight |
545.562
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| Canonical SMILES |
CC(C)NC(=O)C1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
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| InChI |
InChI=1S/C27H30F3N5O4/c1-16(2)31-25(37)18-10-12-35(13-11-18)26-32-17(3)22-14-19(4-9-23(22)34-26)33-24(36)15-38-20-5-7-21(8-6-20)39-27(28,29)30/h4-9,14,16,18H,10-13,15H2,1-3H3,(H,31,37)(H,33,36)
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| InChIKey |
OXPOYCKRLRTTTK-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