General Information of the Compound
| Compound ID |
CP0442520
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| Compound Name |
US8802711, 107
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| Structure |
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| Formula |
C22H24FN3O2
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| Molecular Weight |
381.451
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| Canonical SMILES |
CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC[C@H](C3)c3cccc(F)c3)cc12
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| InChI |
InChI=1S/C22H24FN3O2/c1-26-20-13-19(8-5-14(20)7-10-21(26)27)25-22(28)24-18-9-6-16(12-18)15-3-2-4-17(23)11-15/h2-5,8,11,13,16,18H,6-7,9-10,12H2,1H3,(H2,24,25,28)/t16-,18-/m1/s1
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| InChIKey |
YSBCSCDCKFNRJN-SJLPKXTDSA-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