General Information of the Compound
| Compound ID |
CP0953827
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| Compound Name |
8-chloro-N-cyclopropyl-3-(4-(2,5-difluorobenzyl)piperazin-1-yl)pyrido[3,4-b]pyrazin-2-amine 2,2,2-trifluoroacetic acid salt
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| Structure |
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| Formula |
C23H22ClF5N6O2
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| Molecular Weight |
544.912
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| Canonical SMILES |
Fc1ccc(F)c(CN2CCN(c3nc4cncc(Cl)c4nc3NC3CC3)CC2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H21ClF2N6.C2HF3O2/c22-16-10-25-11-18-19(16)28-20(26-15-2-3-15)21(27-18)30-7-5-29(6-8-30)12-13-9-14(23)1-4-17(13)24;3-2(4,5)1(6)7/h1,4,9-11,15H,2-3,5-8,12H2,(H,26,28);(H,6,7)
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| InChIKey |
PDTAPEAGGAZHLT-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