General Information of the Compound
| Compound ID |
CP0389966
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| Compound Name |
8-[2-(4-propan-2-ylphenyl)-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 |
C32H31F3N4O2
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| Molecular Weight |
560.62
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| Canonical SMILES |
CC(C)c1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(=O)N1CCC2(CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C32H31F3N4O2/c1-20(2)21-3-5-22(6-4-21)29-36-26-12-7-23(17-27(26)37-29)30(41)38-15-13-31(14-16-38)18-28(40)39(19-31)25-10-8-24(9-11-25)32(33,34)35/h3-12,17,20H,13-16,18-19H2,1-2H3,(H,36,37)
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| InChIKey |
OTVNKCNXVOXUHN-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 | |
| CL000104 | SW620 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 10000 nM
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TI
LI
LO
TS
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| CL000157 | NCI-H1975 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 10000 nM
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TI
LI
LO
TS
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