General Information of the Compound
| Compound ID |
CP0961801
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| Compound Name |
3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-2-(isopropylamino)-N,N-dimethyl-7,8-dihydropyrido[3,4-b]pyrazine-6(5H)-carboxamide trifluoroacetic acid
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| Structure |
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| Formula |
C26H33F5N6O4
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| Molecular Weight |
588.578
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| Canonical SMILES |
CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CN(C(=O)N(C)C)CC2.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H32F2N6O2.C2HF3O2/c1-15(2)27-22-23(29-20-14-32(24(33)30(3)4)12-9-19(20)28-22)31-10-7-17(8-11-31)34-21-6-5-16(25)13-18(21)26;3-2(4,5)1(6)7/h5-6,13,15,17H,7-12,14H2,1-4H3,(H,27,28);(H,6,7)
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| InChIKey |
XSESEWQEVNAIIW-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