General Information of the Compound
| Compound ID |
CP0846751
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| Compound Name |
SID49719633
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| Structure |
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| Formula |
C17H14ClN3O3S2
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| Molecular Weight |
407.904
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| Canonical SMILES |
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccncc2)cs1
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| InChI |
InChI=1S/C17H14ClN3O3S2/c18-13-1-3-14(4-2-13)26(23,24)10-7-16(22)21-17-20-15(11-25-17)12-5-8-19-9-6-12/h1-6,8-9,11H,7,10H2,(H,20,21,22)
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| InChIKey |
MLSIIIMAQNQEOV-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: PT06124, Paired box protein Pax-8