General Information of the Compound
| Compound ID |
CP0958085
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| Compound Name |
US8901315, 239
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| Structure |
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| Formula |
C25H36N4O3S
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| Molecular Weight |
472.655
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(C(=O)N4CCC(O)CC4)CC3)cc12
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| InChI |
InChI=1S/C25H36N4O3S/c1-16-21-15-22(33-25(21)29(27-16)19-5-3-2-4-6-19)23(31)26-18-9-7-17(8-10-18)24(32)28-13-11-20(30)12-14-28/h15,17-20,30H,2-14H2,1H3,(H,26,31)
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| InChIKey |
FSLGBAIKMSWTBY-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