General Information of the Compound
| Compound ID |
CP0563210
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| Compound Name |
US9169240, 23
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| Structure |
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| Formula |
C29H23F3N4O3S
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| Molecular Weight |
564.589
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CN2CCC(CC2)c2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C29H23F3N4O3S/c30-29(31,32)39-22-9-6-18(7-10-22)17-36-14-12-20(13-15-36)26-34-35-27(38-26)25(37)28-33-23-11-8-21(16-24(23)40-28)19-4-2-1-3-5-19/h1-11,16,20H,12-15,17H2
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| InChIKey |
SULCWUMNOIJRMS-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