General Information of the Compound
| Compound ID |
CP0851435
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| Compound Name |
SID87335818
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| Formula |
C21H15ClN2O3S2
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| Molecular Weight |
442.949
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| Canonical SMILES |
Cc1ccc(Cl)cc1N=C1C=C(NS(=O)(=O)c2cccs2)c2ccccc2C1=O
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| InChI |
InChI=1S/C21H15ClN2O3S2/c1-13-8-9-14(22)11-17(13)23-19-12-18(15-5-2-3-6-16(15)21(19)25)24-29(26,27)20-7-4-10-28-20/h2-12,24H,1H3
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| InChIKey |
QJMNVKFKIADDKH-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8