General Information of the Compound
| Compound ID |
CP0114708
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| Compound Name |
CHEMBL3355544
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| Formula |
C19H19F3N4O2
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| Molecular Weight |
392.381
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| Canonical SMILES |
O[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(OC(F)(F)F)c3)c2n1
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| InChI |
InChI=1S/C19H19F3N4O2/c20-19(21,22)28-15-3-1-2-12(10-15)16-11-23-26-9-8-17(25-18(16)26)24-13-4-6-14(27)7-5-13/h1-3,8-11,13-14,27H,4-7H2,(H,24,25)/t13-,14-
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| InChIKey |
ATMAGFPFVYJWHA-HDJSIYSDSA-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