General Information of the Compound
| Compound ID |
CP0463142
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| Compound Name |
(E)-3-(4-chlorophenyl)-N-[2-(4-cyclobutyl-4-hydroxypiperidin-1-yl)-4-methylquinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C27H29ClN4O2
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| Molecular Weight |
477.008
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(O)(CC1)C1CCC1
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| InChI |
InChI=1S/C27H29ClN4O2/c1-18-23-17-22(30-25(33)12-7-19-5-8-21(28)9-6-19)10-11-24(23)31-26(29-18)32-15-13-27(34,14-16-32)20-3-2-4-20/h5-12,17,20,34H,2-4,13-16H2,1H3,(H,30,33)/b12-7+
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| InChIKey |
HBZBSOGZOJPPJV-KPKJPENVSA-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