General Information of the Compound
| Compound ID |
CP0380964
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| Compound Name |
(E)-3-(4-chlorophenyl)-N-[2-(4-hydroxypiperidin-1-yl)-4-methylquinazolin-6-yl]but-2-enamide
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| Structure |
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| Formula |
C24H25ClN4O2
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| Molecular Weight |
436.943
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| Canonical SMILES |
C\C(=C/C(=O)Nc1ccc2nc(nc(C)c2c1)N1CCC(O)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H25ClN4O2/c1-15(17-3-5-18(25)6-4-17)13-23(31)27-19-7-8-22-21(14-19)16(2)26-24(28-22)29-11-9-20(30)10-12-29/h3-8,13-14,20,30H,9-12H2,1-2H3,(H,27,31)/b15-13+
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| InChIKey |
LGIZQBCBVBYNKL-FYWRMAATSA-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