General Information of the Compound
| Compound ID |
CP0451927
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| Compound Name |
US9067871, 2
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| Structure |
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| Formula |
C26H30Cl2N4O5S
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| Molecular Weight |
581.522
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| Canonical SMILES |
CCOC(=O)NC1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2C1Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C26H30Cl2N4O5S/c1-3-36-26(33)31-24-9-6-18-5-7-19(37-11-10-30-38(34,35)25-15-32(2)16-29-25)14-20(18)21(24)12-17-4-8-22(27)23(28)13-17/h4-5,7-8,13-16,21,24,30H,3,6,9-12H2,1-2H3,(H,31,33)
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| InChIKey |
IXIUBUSABBDIMN-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