General Information of the Compound
| Compound ID |
CP0964623
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| Compound Name |
N-cyclopropyl-3-(4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl)-7-methylpyrido[3,4-b]pyrazin-2-amine 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C25H27F4N5O4
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| Molecular Weight |
537.514
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| Canonical SMILES |
COc1ccc(OC2CCN(c3nc4cnc(C)cc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H26FN5O2.C2HF3O2/c1-14-11-19-20(13-25-14)28-23(22(27-19)26-15-3-4-15)29-9-7-16(8-10-29)31-21-6-5-17(30-2)12-18(21)24;3-2(4,5)1(6)7/h5-6,11-13,15-16H,3-4,7-10H2,1-2H3,(H,26,27);(H,6,7)
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| InChIKey |
ZFJTUEPSHQFFPK-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