General Information of the Compound
| Compound ID |
CP0474736
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| Compound Name |
US9862730, Example 393
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| Structure |
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| Formula |
C32H31N3O5S
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| Molecular Weight |
569.683
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccc(cc4)C(C)(C)C)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C32H31N3O5S/c1-32(2,3)22-11-9-20(10-12-22)18-38-23-8-6-7-21(13-23)19-39-27-14-24(36-4)15-28-25(27)16-29(40-28)26-17-35-30(33-26)41-31(34-35)37-5/h6-17H,18-19H2,1-5H3
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| InChIKey |
VVVDSKLPVDVREO-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