General Information of the Compound
| Compound ID |
CP0566663
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| Compound Name |
US9862730, Example 371
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| Structure |
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| Formula |
C34H35N3O7S
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| Molecular Weight |
629.735
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4cc(OC(C)C)cc(OC(C)C)c4)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C34H35N3O7S/c1-20(2)42-26-11-23(12-27(13-26)43-21(3)4)19-40-24-9-7-8-22(10-24)18-41-30-14-25(38-5)15-31-28(30)16-32(44-31)29-17-37-33(35-29)45-34(36-37)39-6/h7-17,20-21H,18-19H2,1-6H3
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| InChIKey |
RBSPFIHTMOOAMY-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