General Information of the Compound
| Compound ID |
CP0408856
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| Compound Name |
(E)-3-(4-chlorophenyl)-N-[2-(4-hydroxy-4-propan-2-ylpiperidin-1-yl)-4-methylquinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C26H29ClN4O2
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| Molecular Weight |
464.997
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| Canonical SMILES |
CC(C)C1(O)CCN(CC1)c1nc(C)c2cc(NC(=O)\C=C\c3ccc(Cl)cc3)ccc2n1
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| InChI |
InChI=1S/C26H29ClN4O2/c1-17(2)26(33)12-14-31(15-13-26)25-28-18(3)22-16-21(9-10-23(22)30-25)29-24(32)11-6-19-4-7-20(27)8-5-19/h4-11,16-17,33H,12-15H2,1-3H3,(H,29,32)/b11-6+
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| InChIKey |
SMKBCISYENKLTG-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