General Information of the Compound
| Compound ID |
CP0017275
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| Compound Name |
(2R)-2-[[9-propyl-6-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C20H25F3N6O
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| Molecular Weight |
422.455
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| Canonical SMILES |
CCCn1cnc2c(NCc3ccc(cc3)C(F)(F)F)nc(N[C@H](CC)CO)nc12
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| InChI |
InChI=1S/C20H25F3N6O/c1-3-9-29-12-25-16-17(27-19(28-18(16)29)26-15(4-2)11-30)24-10-13-5-7-14(8-6-13)20(21,22)23/h5-8,12,15,30H,3-4,9-11H2,1-2H3,(H2,24,26,27,28)/t15-/m1/s1
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| InChIKey |
ACTHKEPLJBFNNI-OAHLLOKOSA-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