General Information of the Compound
| Compound ID |
CP0764087
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| Compound Name |
SID24821002
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| Structure |
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| Formula |
C17H13N3O6S
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| Molecular Weight |
387.373
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| Canonical SMILES |
COc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1NC(=O)c1cccs1
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| InChI |
InChI=1S/C17H13N3O6S/c1-25-13-9-10(18-16(21)12-6-7-15(26-12)20(23)24)4-5-11(13)19-17(22)14-3-2-8-27-14/h2-9H,1H3,(H,18,21)(H,19,22)
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| InChIKey |
OKAWAEDCRFHBRY-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: PT06033, Microphthalmia-associated transcription factor