General Information of the Compound
| Compound ID |
CP0492676
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| Compound Name |
8-(2-pyridin-4-yl-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 |
C28H24F3N5O2
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| Molecular Weight |
519.527
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)N1CC2(CC1=O)CCN(CC2)C(=O)c1ccc2[nH]c(nc2c1)-c1ccncc1
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| InChI |
InChI=1S/C28H24F3N5O2/c29-28(30,31)20-2-4-21(5-3-20)36-17-27(16-24(36)37)9-13-35(14-10-27)26(38)19-1-6-22-23(15-19)34-25(33-22)18-7-11-32-12-8-18/h1-8,11-12,15H,9-10,13-14,16-17H2,(H,33,34)
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| InChIKey |
KRIOYEVARYVVDF-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