General Information of the Compound
| Compound ID |
CP0861429
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| Compound Name |
N-cyclopropyl-3-(4-(4-ethoxyphenoxy)piperidin-1-yl)pyrido[3,4-b]pyrazin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H28F3N5O4
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| Molecular Weight |
519.524
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| Canonical SMILES |
CCOc1ccc(OC2CCN(c3nc4cnccc4nc3NC3CC3)CC2)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H27N5O2.C2HF3O2/c1-2-29-17-5-7-18(8-6-17)30-19-10-13-28(14-11-19)23-22(25-16-3-4-16)26-20-9-12-24-15-21(20)27-23;3-2(4,5)1(6)7/h5-9,12,15-16,19H,2-4,10-11,13-14H2,1H3,(H,25,26);(H,6,7)
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| InChIKey |
WZFMLQGMWIYZKW-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