General Information of the Compound
| Compound ID |
CP0415609
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| Compound Name |
8-(2-methyl-3H-benzimidazole-5-carbonyl)-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-3-one
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| Structure |
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| Formula |
C24H23F3N4O2
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| Molecular Weight |
456.468
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| Canonical SMILES |
Cc1nc2cc(ccc2[nH]1)C(=O)N1CCC2(CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C24H23F3N4O2/c1-15-28-19-7-2-16(12-20(19)29-15)22(33)30-10-8-23(9-11-30)13-21(32)31(14-23)18-5-3-17(4-6-18)24(25,26)27/h2-7,12H,8-11,13-14H2,1H3,(H,28,29)
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| InChIKey |
OIICPRKYJNYLFO-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