General Information of the Compound
| Compound ID |
CP0871859
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| Compound Name |
(S)-2-(4-((2,4-difluorophenyl)fluoromethyl)piperidin-1-yl)-3-(isopropylamino)-7,8-dihydropyrido[3,4-b]pyrazine-6(5H)-carbaldehyde trifluoroacetic acid
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| Structure |
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| Formula |
C25H29F6N5O3
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| Molecular Weight |
561.527
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| Canonical SMILES |
CC(C)Nc1nc2c(nc1N1CCC([C@H](F)c3ccc(F)cc3F)CC1)CCN(C=O)C2.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H28F3N5O.C2HF3O2/c1-14(2)27-22-23(29-19-7-8-30(13-32)12-20(19)28-22)31-9-5-15(6-10-31)21(26)17-4-3-16(24)11-18(17)25;3-2(4,5)1(6)7/h3-4,11,13-15,21H,5-10,12H2,1-2H3,(H,27,28);(H,6,7)/t21-;/m0./s1
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| InChIKey |
SFHGAUFJGIJDAV-BOXHHOBZSA-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