General Information of the Compound
| Compound ID |
CP0397815
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| Compound Name |
US8952169, 280
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| Structure |
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| Formula |
C23H31N3O4S
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| Molecular Weight |
445.585
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| Canonical SMILES |
O=C(NS(=O)(=O)N1CCC1)c1cnc(OCC23CC4CC(CC(C4)C2)C3)c(c1)C1CC1
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| InChI |
InChI=1S/C23H31N3O4S/c27-21(25-31(28,29)26-4-1-5-26)19-9-20(18-2-3-18)22(24-13-19)30-14-23-10-15-6-16(11-23)8-17(7-15)12-23/h9,13,15-18H,1-8,10-12,14H2,(H,25,27)
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| InChIKey |
LATHVTUYKGMIPI-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