General Information of the Compound
| Compound ID |
CP0875070
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| Compound Name |
SID51086071
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| Structure |
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| Formula |
C18H18N2O4S2
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| Molecular Weight |
390.486
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| Canonical SMILES |
CCOc1cccc2sc(NC(=O)CCS(=O)(=O)c3ccccc3)nc12
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| InChI |
InChI=1S/C18H18N2O4S2/c1-2-24-14-9-6-10-15-17(14)20-18(25-15)19-16(21)11-12-26(22,23)13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,19,20,21)
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| InChIKey |
NTTHSYDRNIIPDV-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: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3