General Information of the Compound
| Compound ID |
CP0400555
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| Compound Name |
US8969325, 295
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| Structure |
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| Formula |
C22H23F3N4O3
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| Molecular Weight |
448.445
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| Canonical SMILES |
CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4nc(ccc34)C(F)(F)F)cc12
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| InChI |
InChI=1S/C22H23F3N4O3/c1-21(2)11-15(14-7-8-17(22(23,24)25)28-19(14)32-21)27-20(31)26-13-6-4-12-5-9-18(30)29(3)16(12)10-13/h4,6-8,10,15H,5,9,11H2,1-3H3,(H2,26,27,31)/t15-/m1/s1
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| InChIKey |
SIWYLULVODDSBD-OAHLLOKOSA-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