General Information of the Compound
| Compound ID |
CP0129158
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| Compound Name |
US9340555, 25
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| Structure |
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| Formula |
C28H27F2N5O5S
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| Molecular Weight |
583.617
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| Canonical SMILES |
COC(=O)CNCCCNC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)c(F)c3)c2s1
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| InChI |
InChI=1S/C28H27F2N5O5S/c1-16-4-6-18(29)21(12-16)35-28(38)34-20-7-5-17(13-19(20)30)40-23-8-11-32-22-14-24(41-26(22)23)27(37)33-10-3-9-31-15-25(36)39-2/h4-8,11-14,31H,3,9-10,15H2,1-2H3,(H,33,37)(H2,34,35,38)
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| InChIKey |
UFRGYRZAPMGFPZ-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