General Information of the Compound
| Compound ID |
CP0539236
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| Compound Name |
8-(quinoline-3-carbonyl)-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-3-one
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| Structure |
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| Formula |
C25H22F3N3O2
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| Molecular Weight |
453.464
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)N1CC2(CC1=O)CCN(CC2)C(=O)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C25H22F3N3O2/c26-25(27,28)19-5-7-20(8-6-19)31-16-24(14-22(31)32)9-11-30(12-10-24)23(33)18-13-17-3-1-2-4-21(17)29-15-18/h1-8,13,15H,9-12,14,16H2
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| InChIKey |
ZDTGXOXPEZCUED-UHFFFAOYSA-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: PT01270, Acetyl-CoA carboxylase 1
Protein ID: PT01119, Acetyl-CoA carboxylase 2