General Information of the Compound
| Compound ID |
CP0566388
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| Compound Name |
US9067871, 69
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| Structure |
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| Formula |
C25H29ClN2O3S2
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| Molecular Weight |
505.105
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| Canonical SMILES |
Cc1cc(c(C)s1)S(=O)(=O)NCCOc1ccc2CCC(N)C(Cc3cccc(Cl)c3)c2c1
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| InChI |
InChI=1S/C25H29ClN2O3S2/c1-16-12-25(17(2)32-16)33(29,30)28-10-11-31-21-8-6-19-7-9-24(27)23(22(19)15-21)14-18-4-3-5-20(26)13-18/h3-6,8,12-13,15,23-24,28H,7,9-11,14,27H2,1-2H3
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| InChIKey |
HWSNUWHWSPTKSI-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