General Information of the Compound
| Compound ID |
CP0556601
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| Compound Name |
US8912224, 247
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| Structure |
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| Formula |
C24H18ClFN4O3S
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| Molecular Weight |
496.951
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| Canonical SMILES |
Fc1cncc(c1)C1CCc2cc(Oc3ncc(s3)C(=O)NCc3ccnc(Cl)c3)ccc2O1
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| InChI |
InChI=1S/C24H18ClFN4O3S/c25-22-7-14(5-6-28-22)10-29-23(31)21-13-30-24(34-21)32-18-2-4-19-15(9-18)1-3-20(33-19)16-8-17(26)12-27-11-16/h2,4-9,11-13,20H,1,3,10H2,(H,29,31)
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| InChIKey |
NADIXHKKUWQLEV-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