General Information of the Compound
| Compound ID |
CP0492536
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| Compound Name |
US9067871, 6
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| Structure |
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| Formula |
C24H32Cl2N2O3S
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| Molecular Weight |
499.504
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| Canonical SMILES |
CCCS(=O)(=O)NCCOc1ccc2CCC(C(Cc3ccc(Cl)c(Cl)c3)c2c1)N(C)C
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| InChI |
InChI=1S/C24H32Cl2N2O3S/c1-4-13-32(29,30)27-11-12-31-19-8-6-18-7-10-24(28(2)3)21(20(18)16-19)14-17-5-9-22(25)23(26)15-17/h5-6,8-9,15-16,21,24,27H,4,7,10-14H2,1-3H3
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| InChIKey |
IREXCYQKWLWLFF-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