General Information of the Compound
| Compound ID |
CP0853395
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| Compound Name |
3-(4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl)-N-isopropyl-6-methyl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-2-amine trifluoroacetic acid
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| Structure |
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| Formula |
C25H33F4N5O4
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| Molecular Weight |
543.562
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| Canonical SMILES |
COc1ccc(OC2CCN(c3nc4c(nc3NC(C)C)CCN(C)C4)CC2)c(F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H32FN5O2.C2HF3O2/c1-15(2)25-22-23(27-20-14-28(3)10-9-19(20)26-22)29-11-7-16(8-12-29)31-21-6-5-17(30-4)13-18(21)24;3-2(4,5)1(6)7/h5-6,13,15-16H,7-12,14H2,1-4H3,(H,25,26);(H,6,7)
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| InChIKey |
GHJZQJWVOWOGLO-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