General Information of the Compound
| Compound ID |
CP0865026
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| Compound Name |
2-(cyclopropylamino)-3-(4-(2-fluoro-4-methoxybenzyl)piperazin-1-yl)-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C27H31F4N7O4
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| Molecular Weight |
593.582
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| Canonical SMILES |
COc1ccc(CN2CCN(c3nc4cnc(C(=O)N(C)C)cc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C25H30FN7O2.C2HF3O2/c1-31(2)25(34)21-13-20-22(14-27-21)30-24(23(29-20)28-17-5-6-17)33-10-8-32(9-11-33)15-16-4-7-18(35-3)12-19(16)26;3-2(4,5)1(6)7/h4,7,12-14,17H,5-6,8-11,15H2,1-3H3,(H,28,29);(H,6,7)
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| InChIKey |
BJJQIWDHMXNNHV-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