General Information of the Compound
| Compound ID |
CP0430757
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| Compound Name |
(E)-N-[2-(4-cyclopropyl-4-hydroxypiperidin-1-yl)-4-methylquinazolin-6-yl]-3-(4-methylphenyl)prop-2-enamide
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| Structure |
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| Formula |
C27H30N4O2
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| Molecular Weight |
442.563
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| Canonical SMILES |
Cc1ccc(\C=C\C(=O)Nc2ccc3nc(nc(C)c3c2)N2CCC(O)(CC2)C2CC2)cc1
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| InChI |
InChI=1S/C27H30N4O2/c1-18-3-5-20(6-4-18)7-12-25(32)29-22-10-11-24-23(17-22)19(2)28-26(30-24)31-15-13-27(33,14-16-31)21-8-9-21/h3-7,10-12,17,21,33H,8-9,13-16H2,1-2H3,(H,29,32)/b12-7+
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| InChIKey |
ZCGBKBLWJZCVNF-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