General Information of the Compound
| Compound ID |
CP0397915
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| Compound Name |
(E)-N-[2-(4-cyclopropyl-4-hydroxypiperidin-1-yl)-4-methylquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C27H27F3N4O3
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| Molecular Weight |
512.532
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(O)(CC1)C1CC1
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| InChI |
InChI=1S/C27H27F3N4O3/c1-17-22-16-20(32-24(35)11-4-18-2-8-21(9-3-18)37-27(28,29)30)7-10-23(22)33-25(31-17)34-14-12-26(36,13-15-34)19-5-6-19/h2-4,7-11,16,19,36H,5-6,12-15H2,1H3,(H,32,35)/b11-4+
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| InChIKey |
RULRURLPABXVSS-NYYWCZLTSA-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