General Information of the Compound
| Compound ID |
CP0010573
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| Compound Name |
US9745291, Compound 102
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| Structure |
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| Formula |
C24H31N3O5S
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| Molecular Weight |
473.595
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)cccc2OCC(=O)NCC(O)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C24H31N3O5S/c1-33(30,31)27-12-10-22-20(15-27)7-4-8-23(22)32-17-24(29)25-13-21(28)16-26-11-9-18-5-2-3-6-19(18)14-26/h2-8,21,28H,9-17H2,1H3,(H,25,29)
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| InChIKey |
YIKBEOLHWSWCGM-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