General Information of the Compound
| Compound ID |
CP0507899
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| Compound Name |
US9422235, 40
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| Structure |
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| Formula |
C17H24N2O2S
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| Molecular Weight |
320.458
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| Canonical SMILES |
O=S(=O)(NCC1CC1)c1ccc(NC2CC3CCC2C3)cc1
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| InChI |
InChI=1S/C17H24N2O2S/c20-22(21,18-11-12-1-2-12)16-7-5-15(6-8-16)19-17-10-13-3-4-14(17)9-13/h5-8,12-14,17-19H,1-4,9-11H2
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| InChIKey |
GGQGDRQDDSXITL-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