General Information of the Compound
| Compound ID |
CP0485074
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| Compound Name |
(E)-N-(2-[1,4]Diazepan-1-yl-4-methyl-quinolin-6-yl)-3-(4-trifluoromethoxy-phenyl)-acrylamide
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| Structure |
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| Formula |
C25H25F3N4O2
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| Molecular Weight |
470.495
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| Canonical SMILES |
Cc1cc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCCNCC1
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| InChI |
InChI=1S/C25H25F3N4O2/c1-17-15-23(32-13-2-11-29-12-14-32)31-22-9-6-19(16-21(17)22)30-24(33)10-5-18-3-7-20(8-4-18)34-25(26,27)28/h3-10,15-16,29H,2,11-14H2,1H3,(H,30,33)/b10-5+
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| InChIKey |
RFQAEWCPAAHVMT-BJMVGYQFSA-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01027, Melanin-concentrating hormone receptor 1