General Information of the Compound
| Compound ID |
CP0459869
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| Compound Name |
US9067871, 59
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| Structure |
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| Formula |
C23H24Cl2N2O3S2
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| Molecular Weight |
511.496
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| Canonical SMILES |
NC1CCc2ccc(OCCNS(=O)(=O)c3ccc(Cl)s3)cc2C1Cc1cccc(Cl)c1
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| InChI |
InChI=1S/C23H24Cl2N2O3S2/c24-17-3-1-2-15(12-17)13-20-19-14-18(6-4-16(19)5-7-21(20)26)30-11-10-27-32(28,29)23-9-8-22(25)31-23/h1-4,6,8-9,12,14,20-21,27H,5,7,10-11,13,26H2
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| InChIKey |
AYHOCUNWSMDBOV-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