General Information of the Compound
| Compound ID |
CP0909884
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| Compound Name |
(1-(2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl)piperidin-4-yl)(o-tolyl)methanone 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H26F3N5O3
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| Molecular Weight |
501.509
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| Canonical SMILES |
Cc1ccccc1C(=O)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H25N5O.C2HF3O2/c1-15-4-2-3-5-18(15)21(29)16-9-12-28(13-10-16)23-22(25-17-6-7-17)26-19-8-11-24-14-20(19)27-23;3-2(4,5)1(6)7/h2-5,8,11,14,16-17H,6-7,9-10,12-13H2,1H3,(H,25,26);(H,6,7)
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| InChIKey |
KRTGNLVLFHSAEK-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