General Information of the Compound
| Compound ID |
CP0519551
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| Compound Name |
US9169240, 14
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| Structure |
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| Formula |
C25H16FN5O2S
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| Molecular Weight |
469.501
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| Canonical SMILES |
Fc1cc(cc2sc(nc12)C(=O)c1nnc(CCc2nc3ccccc3[nH]2)o1)-c1ccccc1
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| InChI |
InChI=1S/C25H16FN5O2S/c26-16-12-15(14-6-2-1-3-7-14)13-19-22(16)29-25(34-19)23(32)24-31-30-21(33-24)11-10-20-27-17-8-4-5-9-18(17)28-20/h1-9,12-13H,10-11H2,(H,27,28)
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| InChIKey |
WTCKQGZDWSBGTQ-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