General Information of the Compound
| Compound ID |
CP0517842
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| Compound Name |
US9266877, 159
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| Structure |
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| Formula |
C39H41N5O3S
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| Molecular Weight |
659.856
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| Canonical SMILES |
Cc1c(NCC2CCCC(C)(C)C2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C39H41N5O3S/c1-24-27(11-7-14-31(24)40-22-25-9-8-19-39(2,3)21-25)28-16-17-34(42-35(28)37(46)47)44-20-18-26-10-6-12-29(30(26)23-44)36(45)43-38-41-32-13-4-5-15-33(32)48-38/h4-7,10-17,25,40H,8-9,18-23H2,1-3H3,(H,46,47)(H,41,43,45)
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| InChIKey |
YFNQMKMMAVCWDO-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