General Information of the Compound
| Compound ID |
CP0400737
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| Compound Name |
US8901315, 112
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| Structure |
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| Formula |
C25H33N5OS
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| Molecular Weight |
451.64
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCCC4)c3s2)cc1
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| InChI |
InChI=1S/C25H33N5OS/c1-18-22-17-23(32-25(22)30(27-18)21-7-5-3-4-6-8-21)24(31)26-19-9-11-20(12-10-19)29-15-13-28(2)14-16-29/h9-12,17,21H,3-8,13-16H2,1-2H3,(H,26,31)
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| InChIKey |
DYCLOMHPBYAHIV-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