General Information of the Compound
| Compound ID |
CP0548925
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| Compound Name |
US9012651, 22
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| Structure |
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| Formula |
C19H19F7N2O
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| Molecular Weight |
424.36
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C19H19F7N2O/c1-10(2)17(9-29)27-8-16-14(20)3-4-15(28-16)11-5-12(18(21,22)23)7-13(6-11)19(24,25)26/h3-7,10,17,27,29H,8-9H2,1-2H3/t17-/m0/s1
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| InChIKey |
BPKIDOSWENKWQJ-KRWDZBQOSA-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