General Information of the Compound
| Compound ID |
CP0313959
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| Compound Name |
US9266869, 28
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| Structure |
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| Formula |
C29H27F3N4O5S
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| Molecular Weight |
600.619
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| Canonical SMILES |
COC(=O)CCCCS(C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C29H27F3N4O5S/c1-41-25(37)11-3-4-14-42(2,40)36-28(39)22-16-20(26(33)34-18-22)13-12-19-7-5-10-24(15-19)35-27(38)21-8-6-9-23(17-21)29(30,31)32/h5-10,15-18H,3-4,11,14H2,1-2H3,(H2,33,34)(H,35,38)
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| InChIKey |
DLUVOPPDOKCLLX-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