General Information of the Compound
| Compound ID |
CP0468981
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| Compound Name |
MLS001095185
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| Structure |
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| Formula |
C22H24ClN3O4S2
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| Molecular Weight |
494.038
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| Canonical SMILES |
CC1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(Cl)c1
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| InChI |
InChI=1S/C22H24ClN3O4S2/c1-13-3-4-16(11-18(13)23)24-22(28)15-7-9-26(10-8-15)32(29,30)17-5-6-20-19(12-17)25-21(27)14(2)31-20/h3-6,11-12,14-15H,7-10H2,1-2H3,(H,24,28)(H,25,27)
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| InChIKey |
RWVUMQOYOPSNTR-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