General Information of the Compound
| Compound ID |
CP0574041
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| Compound Name |
US9862730, Example 313
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| Structure |
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| Formula |
C31H29N3O5S
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| Molecular Weight |
555.656
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccc(cc4)C(C)C)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C31H29N3O5S/c1-19(2)22-10-8-20(9-11-22)17-37-23-7-5-6-21(12-23)18-38-27-13-24(35-3)14-28-25(27)15-29(39-28)26-16-34-30(32-26)40-31(33-34)36-4/h5-16,19H,17-18H2,1-4H3
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| InChIKey |
SUJNEARLZMSITK-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