General Information of the Compound
| Compound ID |
CP0535909
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| Compound Name |
US9067871, 45
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| Structure |
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| Formula |
C22H30N2O2S
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| Molecular Weight |
386.561
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| Canonical SMILES |
CCCS(=O)(=O)N(C)Cc1ccc2CCC(N)C(Cc3ccccc3)c2c1
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| InChI |
InChI=1S/C22H30N2O2S/c1-3-13-27(25,26)24(2)16-18-9-10-19-11-12-22(23)21(20(19)15-18)14-17-7-5-4-6-8-17/h4-10,15,21-22H,3,11-14,16,23H2,1-2H3
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| InChIKey |
GGRCQDDVIQCLOA-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