General Information of the Compound
| Compound ID |
CP0418678
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| Compound Name |
4-(3,5-dimethyl-1-pyrazolyl)-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]benzamide
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| Structure |
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| Formula |
C23H26N4O4S
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| Molecular Weight |
454.552
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| Canonical SMILES |
Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1
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| InChI |
InChI=1S/C23H26N4O4S/c1-16-4-7-20(15-22(16)32(29,30)26-10-12-31-13-11-26)24-23(28)19-5-8-21(9-6-19)27-18(3)14-17(2)25-27/h4-9,14-15H,10-13H2,1-3H3,(H,24,28)
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| InChIKey |
VECYBSYEYKOEKL-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: PT06033, Microphthalmia-associated transcription factor