General Information of the Compound
| Compound ID |
CP0954746
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| Compound Name |
2-(4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl)-3-(isopropylamino)-N,N-dimethyl-7,8-dihydropyrido[3,4-b]pyrazine-6(5H)-carboxamide trifluoroacetic acid
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| Structure |
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| Formula |
C27H36F4N6O5
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| Molecular Weight |
600.614
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| Canonical SMILES |
COc1ccc(OC2CCN(c3nc4c(nc3NC(C)C)CN(C(=O)N(C)C)CC4)CC2)c(F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C25H35FN6O3.C2HF3O2/c1-16(2)27-23-24(29-20-10-13-32(15-21(20)28-23)25(33)30(3)4)31-11-8-17(9-12-31)35-22-7-6-18(34-5)14-19(22)26;3-2(4,5)1(6)7/h6-7,14,16-17H,8-13,15H2,1-5H3,(H,27,28);(H,6,7)
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| InChIKey |
IJFDASRNVVOZJN-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