General Information of the Compound
| Compound ID |
CP0325013
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| Compound Name |
US9340555, 18
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| Structure |
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| Formula |
C28H28FN5O5S
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| Molecular Weight |
565.627
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| Canonical SMILES |
COC(=O)CNCCCNC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)c2s1
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| InChI |
InChI=1S/C28H28FN5O5S/c1-17-4-9-20(29)21(14-17)34-28(37)33-18-5-7-19(8-6-18)39-23-10-13-31-22-15-24(40-26(22)23)27(36)32-12-3-11-30-16-25(35)38-2/h4-10,13-15,30H,3,11-12,16H2,1-2H3,(H,32,36)(H2,33,34,37)
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| InChIKey |
BYDMGYUSZLFTLB-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