General Information of the Compound
| Compound ID |
CP0224284
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| Compound Name |
CHEMBL3718522
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| Formula |
C19H19F6N5O
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| Molecular Weight |
447.383
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| Canonical SMILES |
Nc1ncc(cc1C(F)(F)F)-c1cc([C@@H]2[C@H]3CN(C[C@@H]23)C2COC2)n(CC(F)(F)F)n1
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| InChI |
InChI=1S/C19H19F6N5O/c20-18(21,22)8-30-15(16-11-4-29(5-12(11)16)10-6-31-7-10)2-14(28-30)9-1-13(19(23,24)25)17(26)27-3-9/h1-3,10-12,16H,4-8H2,(H2,26,27)/t11-,12+,16+
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| InChIKey |
LYOZBTIIBZSJSL-ATCWAGBWSA-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
Protein ID: PT02542, Mitogen-activated protein kinase kinase kinase 12