General Information of the Compound
| Compound ID |
CP0442260
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| Compound Name |
US8987445, 139
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| Structure |
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| Formula |
C27H24N2O4S
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| Molecular Weight |
472.566
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| Canonical SMILES |
Cc1c(nc(C2CC2)c2ccccc12)N(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C27H24N2O4S/c1-18-23-9-5-6-10-24(23)25(20-11-12-20)28-26(18)29(17-19-7-3-2-4-8-19)34(32,33)22-15-13-21(14-16-22)27(30)31/h2-10,13-16,20H,11-12,17H2,1H3,(H,30,31)
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| InChIKey |
KDAVDSCZDLTHRU-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