General Information of the Compound
| Compound ID |
CP0459992
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| Compound Name |
US10047103, 171
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| Structure |
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| Formula |
C27H31N5O7S3
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| Molecular Weight |
633.774
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(CCOCC3)NS(=O)(=O)C(C)(C)C)cc(OC)cc2o1
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| InChI |
InChI=1S/C27H31N5O7S3/c1-26(2,3)42(33,34)31-27(6-8-37-9-7-27)23-28-16(15-40-23)14-38-20-10-17(35-4)11-21-18(20)12-22(39-21)19-13-32-24(29-19)41-25(30-32)36-5/h10-13,15,31H,6-9,14H2,1-5H3
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| InChIKey |
RZLDWQCJXLBNGM-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