General Information of the Compound
| Compound ID |
CP0946375
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| Compound Name |
2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-N,N,7-trimethyl-7,8-dihydropyrido[3,4-b]pyrazine-6(5H)-carboxamide trifluoroacetic acid
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| Structure |
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| Formula |
C26H31F7N6O4
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| Molecular Weight |
624.558
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| Canonical SMILES |
CC1Cc2nc(NCC(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2CN1C(=O)N(C)C.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H30F4N6O2.C2HF3O2/c1-14-10-18-19(13-34(14)24(35)32(2)3)31-23(22(30-18)29-12-21(27)28)33-8-6-16(7-9-33)36-20-5-4-15(25)11-17(20)26;3-2(4,5)1(6)7/h4-5,11,14,16,21H,6-10,12-13H2,1-3H3,(H,29,30);(H,6,7)
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| InChIKey |
ZLOZSKJCUGFNNY-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