General Information of the Compound
| Compound ID |
CP0961800
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| Compound Name |
2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxy)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 |
C25H29F7N6O4
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| Molecular Weight |
610.531
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| Canonical SMILES |
CN(C)C(=O)N1CCc2nc(NCC(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2C1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H28F4N6O2.C2HF3O2/c1-31(2)23(34)33-10-7-17-18(13-33)30-22(21(29-17)28-12-20(26)27)32-8-5-15(6-9-32)35-19-4-3-14(24)11-16(19)25;3-2(4,5)1(6)7/h3-4,11,15,20H,5-10,12-13H2,1-2H3,(H,28,29);(H,6,7)
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| InChIKey |
ZZNPVHQHVJFKCA-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