General Information of the Compound
| Compound ID |
CP0567000
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| Compound Name |
US9862730, Example 351
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| Structure |
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| Formula |
C29H25N3O6S
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| Molecular Weight |
543.601
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3ccc(OC)c(OCc4ccccc4)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C29H25N3O6S/c1-33-20-12-24(21-14-26(38-25(21)13-20)22-15-32-28(30-22)39-29(31-32)35-3)36-17-19-9-10-23(34-2)27(11-19)37-16-18-7-5-4-6-8-18/h4-15H,16-17H2,1-3H3
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| InChIKey |
UCXXUPIMNLLOEK-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