General Information of the Compound
| Compound ID |
CP0415606
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| Compound Name |
8-(7-methyl-2-propyl-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 |
C27H29F3N4O2
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| Molecular Weight |
498.549
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| Canonical SMILES |
CCCc1nc2cc(cc(C)c2[nH]1)C(=O)N1CCC2(CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C27H29F3N4O2/c1-3-4-22-31-21-14-18(13-17(2)24(21)32-22)25(36)33-11-9-26(10-12-33)15-23(35)34(16-26)20-7-5-19(6-8-20)27(28,29)30/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3,(H,31,32)
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| InChIKey |
KNMQLFMUYKASBY-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000034 | Caco-2 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 10000 nM
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| CL000157 | NCI-H1975 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 270 nM
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