General Information of the Compound
| Compound ID |
CP0968927
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| Compound Name |
(5-chloro-2-fluorophenyl)(1-(2-(isopropylamino)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-yl)piperidin-4-yl)methanone trifluoroacetic acid
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| Structure |
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| Formula |
C25H30ClF4N5O3
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| Molecular Weight |
559.992
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| Canonical SMILES |
CC(C)Nc1nc2c(nc1N1CCC(C(=O)c3cc(Cl)ccc3F)CC1)CN(C)CC2.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H29ClFN5O.C2HF3O2/c1-14(2)26-22-23(28-20-13-29(3)9-8-19(20)27-22)30-10-6-15(7-11-30)21(31)17-12-16(24)4-5-18(17)25;3-2(4,5)1(6)7/h4-5,12,14-15H,6-11,13H2,1-3H3,(H,26,27);(H,6,7)
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| InChIKey |
BJRNFSRTMSQHJU-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