General Information of the Compound
| Compound ID |
CP0466493
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| Compound Name |
US8901315, 263
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| Structure |
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| Formula |
C23H27FN4O2S
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| Molecular Weight |
442.56
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(N2CC[C@@H](O)C2)c(F)c1
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| InChI |
InChI=1S/C23H27FN4O2S/c1-14-18-12-21(31-23(18)28(26-14)16-5-3-2-4-6-16)22(30)25-15-7-8-20(19(24)11-15)27-10-9-17(29)13-27/h7-8,11-12,16-17,29H,2-6,9-10,13H2,1H3,(H,25,30)/t17-/m1/s1
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| InChIKey |
PURZWNOMOBXJFS-QGZVFWFLSA-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