General Information of the Compound
| Compound ID |
CP0871860
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| Compound Name |
1-(3-(cyclobutylamino)-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)ethan-1-one trifluoroacetic acid
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| Structure |
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| Formula |
C26H30F5N5O4
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| Molecular Weight |
571.547
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| Canonical SMILES |
CC(=O)N1CCc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NC3CCC3)nc2C1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H29F2N5O2.C2HF3O2/c1-15(32)31-12-9-20-21(14-31)28-23(27-17-3-2-4-17)24(29-20)30-10-7-18(8-11-30)33-22-6-5-16(25)13-19(22)26;3-2(4,5)1(6)7/h5-6,13,17-18H,2-4,7-12,14H2,1H3,(H,27,28);(H,6,7)
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| InChIKey |
GNTKSDILQOPHGZ-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