General Information of the Compound
| Compound ID |
CP0928779
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| Compound Name |
US8901315, 238
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| Structure |
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| Formula |
C23H32N4O2S
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| Molecular Weight |
428.602
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(C(=O)NC4CC4)CC3)cc12
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| InChI |
InChI=1S/C23H32N4O2S/c1-14-19-13-20(30-23(19)27(26-14)18-5-3-2-4-6-18)22(29)25-16-9-7-15(8-10-16)21(28)24-17-11-12-17/h13,15-18H,2-12H2,1H3,(H,24,28)(H,25,29)
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| InChIKey |
TWGLDLKFUQPZAW-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