General Information of the Compound
| Compound ID |
CP0397913
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| Compound Name |
(E)-N-[2-(4-hydroxypiperidin-1-yl)-4-methylquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C24H23F3N4O3
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| Molecular Weight |
472.467
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(O)CC1
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| InChI |
InChI=1S/C24H23F3N4O3/c1-15-20-14-17(5-8-21(20)30-23(28-15)31-12-10-18(32)11-13-31)29-22(33)9-4-16-2-6-19(7-3-16)34-24(25,26)27/h2-9,14,18,32H,10-13H2,1H3,(H,29,33)/b9-4+
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| InChIKey |
PVWARCUAQYLFQN-RUDMXATFSA-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