General Information of the Compound
| Compound ID |
CP0400736
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| Compound Name |
US8901315, 51
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| Structure |
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| Formula |
C24H30N4O2S
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| Molecular Weight |
438.597
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(cc1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C24H30N4O2S/c1-15-19-14-20(31-23(19)28(27-15)18-8-6-5-7-9-18)22(30)25-17-12-10-16(11-13-17)21(29)26-24(2,3)4/h10-14,18H,5-9H2,1-4H3,(H,25,30)(H,26,29)
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| InChIKey |
HIZIRSOHLYXDCH-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