General Information of the Compound
| Compound ID |
CP0563947
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| Compound Name |
US9067871, 74
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| Structure |
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| Formula |
C25H32Cl2N2O5S
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| Molecular Weight |
543.513
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| Canonical SMILES |
CCCS(=O)(=O)NCCOc1ccc2CCC(NC(=O)OCC)C(Cc3ccc(Cl)cc3Cl)c2c1
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| InChI |
InChI=1S/C25H32Cl2N2O5S/c1-3-13-35(31,32)28-11-12-34-20-9-6-17-7-10-24(29-25(30)33-4-2)22(21(17)16-20)14-18-5-8-19(26)15-23(18)27/h5-6,8-9,15-16,22,24,28H,3-4,7,10-14H2,1-2H3,(H,29,30)
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| InChIKey |
HCQPZYSCOYOVFD-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