General Information of the Compound
| Compound ID |
CP0931311
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| Compound Name |
(2-bromophenyl)(1-(2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl)piperidin-4-yl)methanone 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C24H23BrF3N5O3
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| Molecular Weight |
566.378
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| Canonical SMILES |
O=C(O)C(F)(F)F.O=C(c1ccccc1Br)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1
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| InChI |
InChI=1S/C22H22BrN5O.C2HF3O2/c23-17-4-2-1-3-16(17)20(29)14-8-11-28(12-9-14)22-21(25-15-5-6-15)26-18-7-10-24-13-19(18)27-22;3-2(4,5)1(6)7/h1-4,7,10,13-15H,5-6,8-9,11-12H2,(H,25,26);(H,6,7)
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| InChIKey |
RAHDPYWKTCDTJS-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