General Information of the Compound
| Compound ID |
CP0169356
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| Compound Name |
MLS001003501
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| Structure |
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| Formula |
C15H11FN4OS2
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| Molecular Weight |
346.412
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| Canonical SMILES |
Fc1ccc(CSc2nnc(NC(=O)c3ccccn3)s2)cc1
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| InChI |
InChI=1S/C15H11FN4OS2/c16-11-6-4-10(5-7-11)9-22-15-20-19-14(23-15)18-13(21)12-3-1-2-8-17-12/h1-8H,9H2,(H,18,19,21)
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| InChIKey |
UUAUWASBALYUFD-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: PT06101, Latent membrane protein 1
Protein ID: PT06172, Mothers against decapentaplegic homolog 3