General Information of the Compound
| Compound ID |
CP0954743
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| Compound Name |
(2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-3-(isopropylamino)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)(tetrahydrofuran-2-yl)methanone trifluoroacetic acid
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| Structure |
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| Formula |
C28H34F5N5O5
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| Molecular Weight |
615.6
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| Canonical SMILES |
CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CCN(C(=O)C1CCCO1)C2.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H33F2N5O3.C2HF3O2/c1-16(2)29-24-25(32-10-7-18(8-11-32)36-22-6-5-17(27)14-19(22)28)31-20-9-12-33(15-21(20)30-24)26(34)23-4-3-13-35-23;3-2(4,5)1(6)7/h5-6,14,16,18,23H,3-4,7-13,15H2,1-2H3,(H,29,30);(H,6,7)
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| InChIKey |
PSYJCWGOWQQQBX-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