General Information of the Compound
| Compound ID |
CP0526181
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| Compound Name |
3-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid (1-tert-butylcarbamoyl-ethyl)-furan-2-ylmethyl-amide
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| Structure |
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| Formula |
C25H28N4O3S
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| Molecular Weight |
464.591
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| Canonical SMILES |
CC(N(Cc1ccco1)C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C25H28N4O3S/c1-16-20-14-21(33-24(20)29(27-16)18-10-7-6-8-11-18)23(31)28(15-19-12-9-13-32-19)17(2)22(30)26-25(3,4)5/h6-14,17H,15H2,1-5H3,(H,26,30)
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| InChIKey |
JVQJAESWJNHISG-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: PT06109, Geminin