General Information of the Compound
| Compound ID |
CP0927579
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| Compound Name |
N-cyclopropyl-2-(4-(2,4-difluorobenzyl)piperidin-1-yl)pyrido[3,4-b]pyrazin-3-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C24H24F5N5O2
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| Molecular Weight |
509.479
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| Canonical SMILES |
Fc1ccc(CC2CCN(c3nc4ccncc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H23F2N5.C2HF3O2/c23-16-2-1-15(18(24)12-16)11-14-6-9-29(10-7-14)22-21(26-17-3-4-17)27-20-13-25-8-5-19(20)28-22;3-2(4,5)1(6)7/h1-2,5,8,12-14,17H,3-4,6-7,9-11H2,(H,26,27);(H,6,7)
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| InChIKey |
SMHICTSZEPMMLS-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