General Information of the Compound
| Compound ID |
CP0491325
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| Compound Name |
(8-Isopropyl-2-morpholin-4-yl-9H-purin-6-yl)-(4-trifluoromethyl-phenyl)-amine
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| Structure |
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| Formula |
C19H21F3N6O
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| Molecular Weight |
406.412
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| Canonical SMILES |
CC(C)c1nc2nc(nc(Nc3ccc(cc3)C(F)(F)F)c2[nH]1)N1CCOCC1
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| InChI |
InChI=1S/C19H21F3N6O/c1-11(2)15-24-14-16(23-13-5-3-12(4-6-13)19(20,21)22)26-18(27-17(14)25-15)28-7-9-29-10-8-28/h3-6,11H,7-10H2,1-2H3,(H2,23,24,25,26,27)
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| InChIKey |
JACKHHYIOBRCDQ-UHFFFAOYSA-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