General Information of the Compound
| Compound ID |
CP0545172
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| Compound Name |
US10047103, 149
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| Structure |
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| Formula |
C29H32N4O7S2
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| Molecular Weight |
612.73
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(O)CCC(CC3)C(=O)OC(C)(C)C)cc(OC)cc2o1
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| InChI |
InChI=1S/C29H32N4O7S2/c1-28(2,3)40-24(34)16-6-8-29(35,9-7-16)25-30-17(15-41-25)14-38-21-10-18(36-4)11-22-19(21)12-23(39-22)20-13-33-26(31-20)42-27(32-33)37-5/h10-13,15-16,35H,6-9,14H2,1-5H3
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| InChIKey |
DQQCJJLDEXHALM-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