General Information of the Compound
| Compound ID |
CP0578136
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| Compound Name |
US8987445, 43
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| Structure |
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| Formula |
C29H27N2NaO5S
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| Molecular Weight |
538.601
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1ccc(OCC2CCC2)cc1)S(=O)(=O)c1ccc(cc1)C(=O)O[Na]
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| InChI |
InChI=1S/C29H28N2O5S.Na/c1-20-27-8-3-2-7-24(27)17-30-28(20)31(37(34,35)26-15-11-23(12-16-26)29(32)33)18-21-9-13-25(14-10-21)36-19-22-5-4-6-22;/h2-3,7-17,22H,4-6,18-19H2,1H3,(H,32,33);/q;+1/p-1
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| InChIKey |
YDNXDRCGWVRIEY-UHFFFAOYSA-M
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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