General Information of the Compound
| Compound ID |
CP0853396
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| Compound Name |
1-(3-(4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl)-2-(isopropylamino)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)ethanone trifluoroacetic acid
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| Structure |
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| Formula |
C26H30ClF4N5O4
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| Molecular Weight |
588.002
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| Canonical SMILES |
CC(=O)N1CCc2nc(NC(C)C)c(N3CCC(C(=O)c4cc(Cl)ccc4F)CC3)nc2C1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H29ClFN5O2.C2HF3O2/c1-14(2)27-23-24(29-21-13-31(15(3)32)11-8-20(21)28-23)30-9-6-16(7-10-30)22(33)18-12-17(25)4-5-19(18)26;3-2(4,5)1(6)7/h4-5,12,14,16H,6-11,13H2,1-3H3,(H,27,28);(H,6,7)
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| InChIKey |
HPFVNEQNBBTCHX-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