General Information of the Compound
| Compound ID |
CP0960988
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| Compound Name |
US8901315, 207
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| Structure |
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| Formula |
C25H37N5O2S
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| Molecular Weight |
471.671
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(C(=O)N4CCN(C)CC4)CC3)cc12
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| InChI |
InChI=1S/C25H37N5O2S/c1-17-21-16-22(33-25(21)30(27-17)20-6-4-3-5-7-20)23(31)26-19-10-8-18(9-11-19)24(32)29-14-12-28(2)13-15-29/h16,18-20H,3-15H2,1-2H3,(H,26,31)
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| InChIKey |
OGUZRCPARMHUGU-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