General Information of the Compound
| Compound ID |
CP0499434
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| Compound Name |
3-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid (tert-butylcarbamoyl-methyl)-furan-2-ylmethyl-amide
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| Structure |
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| Formula |
C24H26N4O3S
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| Molecular Weight |
450.564
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| Canonical SMILES |
Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)N(CC(=O)NC(C)(C)C)Cc1ccco1
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| InChI |
InChI=1S/C24H26N4O3S/c1-16-19-13-20(32-23(19)28(26-16)17-9-6-5-7-10-17)22(30)27(14-18-11-8-12-31-18)15-21(29)25-24(2,3)4/h5-13H,14-15H2,1-4H3,(H,25,29)
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| InChIKey |
XDIYFNVKFHSGPL-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: PT02805, CREB-binding protein
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic