General Information of the Compound
| Compound ID |
CP0407005
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| Compound Name |
1-Benzyl-5-[3-(3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]-2-methyl-1H-indole-3-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C27H31N3O4
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| Molecular Weight |
461.562
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| Canonical SMILES |
CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)Cn3nc(C)cc3C)cc12
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| InChI |
InChI=1S/C27H31N3O4/c1-5-33-27(32)26-20(4)29(15-21-9-7-6-8-10-21)25-12-11-23(14-24(25)26)34-17-22(31)16-30-19(3)13-18(2)28-30/h6-14,22,31H,5,15-17H2,1-4H3
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| InChIKey |
BXPZTXRUOVIUGB-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