General Information of the Compound
| Compound ID |
CP0887507
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| Compound Name |
SID99494642
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| Structure |
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| Formula |
C22H26N4O2S
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| Molecular Weight |
410.543
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| Canonical SMILES |
COc1ccc(CC(N)c2csc(NC(=O)Nc3ccccc3C(C)C)n2)cc1
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| InChI |
InChI=1S/C22H26N4O2S/c1-14(2)17-6-4-5-7-19(17)24-21(27)26-22-25-20(13-29-22)18(23)12-15-8-10-16(28-3)11-9-15/h4-11,13-14,18H,12,23H2,1-3H3,(H2,24,25,26,27)
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| InChIKey |
YOSJZWNIDDAPIF-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