General Information of the Compound
| Compound ID |
CP0492675
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| Compound Name |
8-(7-methyl-1H-indazole-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 |
Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C24H23F3N4O2/c1-15-10-16(11-17-13-28-29-21(15)17)22(33)30-8-6-23(7-9-30)12-20(32)31(14-23)19-4-2-18(3-5-19)24(25,26)27/h2-5,10-11,13H,6-9,12,14H2,1H3,(H,28,29)
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| InChIKey |
JTLHATIPBCWNJJ-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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TI
LI
LO
TS
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| CL000067 | HCT 116 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 8670 nM
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TI
LI
LO
TS
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