General Information of the Compound
| Compound ID |
CP0537606
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| Compound Name |
(E)-3-(4-chlorophenyl)-N-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-4-methylquinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C25H27ClN4O2
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| Molecular Weight |
450.97
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| Canonical SMILES |
CCC1(O)CCN(CC1)c1nc(C)c2cc(NC(=O)\C=C\c3ccc(Cl)cc3)ccc2n1
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| InChI |
InChI=1S/C25H27ClN4O2/c1-3-25(32)12-14-30(15-13-25)24-27-17(2)21-16-20(9-10-22(21)29-24)28-23(31)11-6-18-4-7-19(26)8-5-18/h4-11,16,32H,3,12-15H2,1-2H3,(H,28,31)/b11-6+
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| InChIKey |
QGQBXCSQBOHKPI-IZZDOVSWSA-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