General Information of the Compound
| Compound ID |
CP0464490
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| Compound Name |
US9162979, 14
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| Structure |
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| Formula |
C25H28N2O7S2
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| Molecular Weight |
532.64
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| Canonical SMILES |
CSc1ccc(cc1)-n1c(C)c(CC(=O)OCCCCON(=O)=O)cc1-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C25H28N2O7S2/c1-18-20(17-25(28)33-14-4-5-15-34-27(29)30)16-24(19-6-12-23(13-7-19)36(3,31)32)26(18)21-8-10-22(35-2)11-9-21/h6-13,16H,4-5,14-15,17H2,1-3H3
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| InChIKey |
SVCOIWNLAZURAG-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