General Information of the Compound
| Compound ID |
CP0506832
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| Compound Name |
US8802711, 87
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| Structure |
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| Formula |
C21H23FN2O2
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| Molecular Weight |
354.425
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| Canonical SMILES |
O[C@H]1Cc2cccc(NC(=O)N[C@H]3CC[C@H](C3)c3cccc(F)c3)c2C1
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| InChI |
InChI=1S/C21H23FN2O2/c22-16-5-1-3-13(9-16)14-7-8-17(10-14)23-21(26)24-20-6-2-4-15-11-18(25)12-19(15)20/h1-6,9,14,17-18,25H,7-8,10-12H2,(H2,23,24,26)/t14-,17+,18+/m1/s1
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| InChIKey |
HQLJSFBVHMPCSV-JLSDUUJJSA-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