General Information of the Compound
| Compound ID |
CP0385462
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| Compound Name |
US10047103, 164
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| Structure |
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| Formula |
C29H26N4O5S2
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| Molecular Weight |
574.684
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(CCOC3)c3ccc(C)cc3)cc(OC)cc2o1
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| InChI |
InChI=1S/C29H26N4O5S2/c1-17-4-6-18(7-5-17)29(8-9-36-16-29)26-30-19(15-39-26)14-37-23-10-20(34-2)11-24-21(23)12-25(38-24)22-13-33-27(31-22)40-28(32-33)35-3/h4-7,10-13,15H,8-9,14,16H2,1-3H3
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| InChIKey |
LVZMANLGAVKKOC-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