General Information of the Compound
| Compound ID |
CP0435472
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| Compound Name |
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]acetamide
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| Structure |
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| Formula |
C25H26N6OS
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| Molecular Weight |
458.591
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| Canonical SMILES |
Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2n[nH]c(n2)C2CC2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C25H26N6OS/c1-15-11-17(3)20(12-16(15)2)21-13-22(31(30-21)19-7-5-4-6-8-19)26-23(32)14-33-25-27-24(28-29-25)18-9-10-18/h4-8,11-13,18H,9-10,14H2,1-3H3,(H,26,32)(H,27,28,29)
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| InChIKey |
DBAZHNMKICPZRD-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