General Information of the Compound
| Compound ID |
CP0415607
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| Compound Name |
8-(2-phenyl-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 |
C29H25F3N4O2
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| Molecular Weight |
518.539
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)N1CC2(CC1=O)CCN(CC2)C(=O)c1ccc2[nH]c(nc2c1)-c1ccccc1
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| InChI |
InChI=1S/C29H25F3N4O2/c30-29(31,32)21-7-9-22(10-8-21)36-18-28(17-25(36)37)12-14-35(15-13-28)27(38)20-6-11-23-24(16-20)34-26(33-23)19-4-2-1-3-5-19/h1-11,16H,12-15,17-18H2,(H,33,34)
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| InChIKey |
FFRYXCMTUOLNGE-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