General Information of the Compound
| Compound ID |
CP0397916
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| Compound Name |
(E)-N-[2-(4-cyclopropyl-4-hydroxypiperidin-1-yl)-4-methylquinazolin-6-yl]-3-[4-(difluoromethyl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C27H28F2N4O2
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| Molecular Weight |
478.543
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(cc3)C(F)F)cc12)N1CCC(O)(CC1)C1CC1
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| InChI |
InChI=1S/C27H28F2N4O2/c1-17-22-16-21(31-24(34)11-4-18-2-5-19(6-3-18)25(28)29)9-10-23(22)32-26(30-17)33-14-12-27(35,13-15-33)20-7-8-20/h2-6,9-11,16,20,25,35H,7-8,12-15H2,1H3,(H,31,34)/b11-4+
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| InChIKey |
PUPGMBFYNMNZOA-NYYWCZLTSA-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
Protein ID: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2