General Information of the Compound
| Compound ID |
CP0459870
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| Compound Name |
US9067871, 84
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| Structure |
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| Formula |
C22H28ClNO3S
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| Molecular Weight |
421.99
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| Canonical SMILES |
CCS(=O)(=O)CCCOc1ccc2CCC(N)C(Cc3cccc(Cl)c3)c2c1
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| InChI |
InChI=1S/C22H28ClNO3S/c1-2-28(25,26)12-4-11-27-19-9-7-17-8-10-22(24)21(20(17)15-19)14-16-5-3-6-18(23)13-16/h3,5-7,9,13,15,21-22H,2,4,8,10-12,14,24H2,1H3
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| InChIKey |
NUKKBDWDURQAMW-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