General Information of the Compound
| Compound ID |
CP0576963
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| Compound Name |
US9464076, 100
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| Structure |
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| Formula |
C27H23F2N3O4S
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| Molecular Weight |
523.561
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| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(cccc4n3)C(=O)N3CC(F)(F)C3)c(C)c12
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| InChI |
InChI=1S/C27H23F2N3O4S/c1-14-22-16(11-36-3)7-8-17(15(2)33)24(22)37-23(14)25(34)31-21-10-9-18-19(5-4-6-20(18)30-21)26(35)32-12-27(28,29)13-32/h4-10H,11-13H2,1-3H3,(H,30,31,34)
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| InChIKey |
UQFRJWYHPYKLBI-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