General Information of the Compound
| Compound ID |
CP0887475
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| Compound Name |
SID103050902
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| Structure |
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| Formula |
C22H22N4S
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| Molecular Weight |
374.513
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| Canonical SMILES |
Cc1ccc(CNc2nc(NCc3ccccc3)nc3ccsc23)c(C)c1
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| InChI |
InChI=1S/C22H22N4S/c1-15-8-9-18(16(2)12-15)14-23-21-20-19(10-11-27-20)25-22(26-21)24-13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H2,23,24,25,26)
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| InChIKey |
PIMXBAIKINBHOM-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