General Information of the Compound
| Compound ID |
CP0295533
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| Compound Name |
MLS000394969
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| Structure |
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| Formula |
C22H21ClN2O3S2
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| Molecular Weight |
461.008
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cc3CCCCc3s2)cc1S(=O)(=O)Nc1ccccc1Cl
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| InChI |
InChI=1S/C22H21ClN2O3S2/c1-14-10-11-16(24-22(26)20-12-15-6-2-5-9-19(15)29-20)13-21(14)30(27,28)25-18-8-4-3-7-17(18)23/h3-4,7-8,10-13,25H,2,5-6,9H2,1H3,(H,24,26)
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| InChIKey |
GTOTYNGNWAPMAA-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: PT06172, Mothers against decapentaplegic homolog 3