General Information of the Compound
| Compound ID |
CP0469946
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| Compound Name |
US8969325, 162
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| Structure |
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| Formula |
C22H23ClF2N4O3
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| Molecular Weight |
464.9
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| Canonical SMILES |
CCN1C(=O)NCc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)cccc12
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| InChI |
InChI=1S/C22H23ClF2N4O3/c1-2-29-18-5-3-4-16(15(18)10-26-21(29)31)27-20(30)28-17-9-22(11-24,12-25)32-19-8-13(23)6-7-14(17)19/h3-8,17H,2,9-12H2,1H3,(H,26,31)(H2,27,28,30)/t17-/m1/s1
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| InChIKey |
ZJJQSVJMRXFBMS-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