General Information of the Compound
| Compound ID |
CP0488294
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| Compound Name |
US8791272, 10.2
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| Structure |
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| Formula |
C24H29N3O6S
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| Molecular Weight |
487.578
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| Canonical SMILES |
COc1ccc(CCNS(=O)(=O)c2ccc(Cn3nc(C)c(CC(O)=O)c3C)cc2)cc1OC
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| InChI |
InChI=1S/C24H29N3O6S/c1-16-21(14-24(28)29)17(2)27(26-16)15-19-5-8-20(9-6-19)34(30,31)25-12-11-18-7-10-22(32-3)23(13-18)33-4/h5-10,13,25H,11-12,14-15H2,1-4H3,(H,28,29)
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| InChIKey |
ZHRJJJQIOHGHJC-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