General Information of the Compound
| Compound ID |
CP0466490
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| Compound Name |
US8901315, 142
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| Structure |
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| Formula |
C25H32N4OS
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| Molecular Weight |
436.625
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| Canonical SMILES |
CN1CCC(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1
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| InChI |
InChI=1S/C25H32N4OS/c1-17-22-16-23(31-25(22)29(27-17)21-6-4-3-5-7-21)24(30)26-20-10-8-18(9-11-20)19-12-14-28(2)15-13-19/h8-11,16,19,21H,3-7,12-15H2,1-2H3,(H,26,30)
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| InChIKey |
WZTUXKDWOWIQLF-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