General Information of the Compound
| Compound ID |
CP0341150
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| Compound Name |
US9266869, 30
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| Structure |
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| Formula |
C29H30N4O6S
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| Molecular Weight |
562.648
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| Canonical SMILES |
COC(=O)CCCCS(C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2cccc(OC)c2)c1
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| InChI |
InChI=1S/C29H30N4O6S/c1-38-25-11-7-9-22(18-25)28(35)32-24-10-6-8-20(16-24)13-14-21-17-23(19-31-27(21)30)29(36)33-40(3,37)15-5-4-12-26(34)39-2/h6-11,16-19H,4-5,12,15H2,1-3H3,(H2,30,31)(H,32,35)
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| InChIKey |
ZOTWWNJHIZTSQU-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