General Information of the Compound
| Compound ID |
CP0951420
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| Compound Name |
(2S)-1-(2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-7-methyl-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)-2-methoxypropan-1-one trifluoroacetic acid
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| Structure |
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| Formula |
C27H32F7N5O5
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| Molecular Weight |
639.569
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| Canonical SMILES |
CO[C@@H](C)C(=O)N1Cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NCC(F)F)nc2CC1C.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C25H31F4N5O3.C2HF3O2/c1-14-10-19-20(13-34(14)25(35)15(2)36-3)32-24(23(31-19)30-12-22(28)29)33-8-6-17(7-9-33)37-21-5-4-16(26)11-18(21)27;3-2(4,5)1(6)7/h4-5,11,14-15,17,22H,6-10,12-13H2,1-3H3,(H,30,31);(H,6,7)/t14?,15-;/m0./s1
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| InChIKey |
WMPCUMUEKSHDBI-SCYKNNLXSA-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