General Information of the Compound
| Compound ID |
CP0463141
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| Compound Name |
(E)-N-[2-(4-cyclopropyl-4-hydroxypiperidin-1-yl)-4-methylquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]but-2-enamide
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| Structure |
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| Formula |
C28H29F3N4O3
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| Molecular Weight |
526.559
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| Canonical SMILES |
C\C(=C/C(=O)Nc1ccc2nc(nc(C)c2c1)N1CCC(O)(CC1)C1CC1)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C28H29F3N4O3/c1-17(19-3-8-22(9-4-19)38-28(29,30)31)15-25(36)33-21-7-10-24-23(16-21)18(2)32-26(34-24)35-13-11-27(37,12-14-35)20-5-6-20/h3-4,7-10,15-16,20,37H,5-6,11-14H2,1-2H3,(H,33,36)/b17-15+
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| InChIKey |
CRNYTOLQVBUHQR-BMRADRMJSA-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