General Information of the Compound
| Compound ID |
CP0196742
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| Compound Name |
10-phenothiazinecarbothioic acid S-(5-methyl-1,3,4-thiadiazol-2-yl) ester
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| Structure |
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| Formula |
C16H11N3OS3
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| Molecular Weight |
357.485
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| Canonical SMILES |
Cc1nnc(SC(=O)N2c3ccccc3Sc3ccccc23)s1
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| InChI |
InChI=1S/C16H11N3OS3/c1-10-17-18-15(21-10)23-16(20)19-11-6-2-4-8-13(11)22-14-9-5-3-7-12(14)19/h2-9H,1H3
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| InChIKey |
CCWBJWIPQQIPJH-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