General Information of the Compound
| Compound ID |
CP0386555
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| Compound Name |
US9162979, 14-II
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| Structure |
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| Formula |
C25H29NO5S2
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| Molecular Weight |
487.643
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| Canonical SMILES |
CSc1ccc(cc1)-n1c(C)c(CC(=O)OCCCCO)cc1-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C25H29NO5S2/c1-18-20(17-25(28)31-15-5-4-14-27)16-24(19-6-12-23(13-7-19)33(3,29)30)26(18)21-8-10-22(32-2)11-9-21/h6-13,16,27H,4-5,14-15,17H2,1-3H3
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| InChIKey |
INZWPNZJEKPKCD-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