General Information of the Compound
| Compound ID |
CP0386651
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| Compound Name |
US9447114, 4
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| Structure |
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| Formula |
C23H20Cl2N2O4S
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| Molecular Weight |
491.396
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| Canonical SMILES |
Cn1c2sc(c(C(O)c3ccc(Cl)cc3)c2c(=O)n(CCCO)c1=O)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C23H20Cl2N2O4S/c1-26-22-18(21(30)27(23(26)31)10-3-11-28)17(19(29)13-6-8-15(24)9-7-13)20(32-22)14-4-2-5-16(25)12-14/h2,4-9,12,19,28-29H,3,10-11H2,1H3
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| InChIKey |
MIWVSVIDXJEWIA-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