General Information of the Compound
| Compound ID |
CP0035364
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| Compound Name |
1-(5-Chloro-2-trifluoromethyl-benzyl)-7-(2-piperazin-1-yl-pyridin-4-yl)-1,2,3,4-tetrahydro-pyrido[2,3-b]pyrazine
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| Synonyms |
BDBM50321054
GTPL8208
PMID20483621C5n
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| Structure |
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| Formula |
C24H24ClF3N6
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| Molecular Weight |
488.945
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| Canonical SMILES |
FC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(cc12)-c1ccnc(c1)N1CCNCC1
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| InChI |
InChI=1S/C24H24ClF3N6/c25-19-1-2-20(24(26,27)28)18(11-19)15-34-10-7-31-23-21(34)12-17(14-32-23)16-3-4-30-22(13-16)33-8-5-29-6-9-33/h1-4,11-14,29H,5-10,15H2,(H,31,32)
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| InChIKey |
AHZCYZMNFBGXAC-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
Clinical Information about the Compound