General Information of the Compound
| Compound ID |
CP0538872
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| Compound Name |
US9862730, Example 381
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| Structure |
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| Formula |
C30H27N3O5S
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| Molecular Weight |
541.629
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccc(C)c(C)c4)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C30H27N3O5S/c1-18-8-9-21(10-19(18)2)16-36-22-7-5-6-20(11-22)17-37-26-12-23(34-3)13-27-24(26)14-28(38-27)25-15-33-29(31-25)39-30(32-33)35-4/h5-15H,16-17H2,1-4H3
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| InChIKey |
VQEKFBDNWBKMLN-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