General Information of the Compound
| Compound ID |
CP0506964
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| Compound Name |
US8987445, 46
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| Structure |
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| Formula |
C29H28N2O5S
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| Molecular Weight |
516.619
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C29H28N2O5S/c1-20-27-9-5-2-6-23(27)18-30-28(20)31(37(34,35)26-16-12-22(13-17-26)29(32)33)19-21-10-14-25(15-11-21)36-24-7-3-4-8-24/h2,5-6,9-18,24H,3-4,7-8,19H2,1H3,(H,32,33)
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| InChIKey |
RMONRVFMMGNJMO-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