General Information of the Compound
| Compound ID |
CP0239508
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| Compound Name |
3-[1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrazol-5-yl]-[2-(trifluoromethyloxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
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| Structure |
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| Formula |
C29H26F3N7O4
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| Molecular Weight |
593.566
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| Canonical SMILES |
FC(F)(F)Oc1ccccc1C(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1nnnn1-c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C29H26F3N7O4/c30-29(31,32)43-23-8-4-1-5-20(23)26(27-34-35-36-39(27)19-9-10-24-25(17-19)42-16-15-41-24)37-13-11-18(12-14-37)38-22-7-3-2-6-21(22)33-28(38)40/h1-10,17-18,26H,11-16H2,(H,33,40)
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| InChIKey |
HODOTLLHIOAMTF-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8