General Information of the Compound
| Compound ID |
CP0961802
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| Compound Name |
2-(cyclobutylamino)-3-(4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl)-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 |
C28H36F4N6O5
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| Molecular Weight |
612.625
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| Canonical SMILES |
COc1ccc(OC2CCN(c3nc4c(nc3NC3CCC3)CCN(C(=O)N(C)C)C4)CC2)c(F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H35FN6O3.C2HF3O2/c1-31(2)26(34)33-14-11-21-22(16-33)30-25(24(29-21)28-17-5-4-6-17)32-12-9-18(10-13-32)36-23-8-7-19(35-3)15-20(23)27;3-2(4,5)1(6)7/h7-8,15,17-18H,4-6,9-14,16H2,1-3H3,(H,28,29);(H,6,7)
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| InChIKey |
HVPVLAPUGQXALS-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