General Information of the Compound
| Compound ID |
CP0389844
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| Compound Name |
(E)-N-[2-(4-cyclopropyl-4-hydroxypiperidin-1-yl)-4-methylquinazolin-6-yl]-3-(2,4-dichlorophenyl)prop-2-enamide
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| Structure |
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| Formula |
C26H26Cl2N4O2
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| Molecular Weight |
497.426
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3Cl)cc12)N1CCC(O)(CC1)C1CC1
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| InChI |
InChI=1S/C26H26Cl2N4O2/c1-16-21-15-20(30-24(33)9-3-17-2-6-19(27)14-22(17)28)7-8-23(21)31-25(29-16)32-12-10-26(34,11-13-32)18-4-5-18/h2-3,6-9,14-15,18,34H,4-5,10-13H2,1H3,(H,30,33)/b9-3+
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| InChIKey |
QHOHSFQZUQZRDP-YCRREMRBSA-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