General Information of the Compound
| Compound ID |
CP0340984
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| Compound Name |
US9340555, 24
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| Structure |
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| Formula |
C32H34F2N6O5S
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| Molecular Weight |
652.724
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| Canonical SMILES |
CCOC(=O)N1CCN(CCCNC(=O)c2cc3nccc(Oc4ccc(NC(=O)Nc5cc(C)ccc5F)c(F)c4)c3s2)CC1
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| InChI |
InChI=1S/C32H34F2N6O5S/c1-3-44-32(43)40-15-13-39(14-16-40)12-4-10-36-30(41)28-19-26-29(46-28)27(9-11-35-26)45-21-6-8-24(23(34)18-21)37-31(42)38-25-17-20(2)5-7-22(25)33/h5-9,11,17-19H,3-4,10,12-16H2,1-2H3,(H,36,41)(H2,37,38,42)
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| InChIKey |
QEUXOHWRZLJLKW-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