General Information of the Compound
| Compound ID |
CP0954817
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| Compound Name |
4-(4-(3-(cyclopropylamino)quinoxalin-2-yl)piperazine-1-carbonyl)benzonitrile 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H23F3N6O3
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| Molecular Weight |
512.492
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| Canonical SMILES |
N#Cc1ccc(C(=O)N2CCN(c3nc4ccccc4nc3NC3CC3)CC2)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H22N6O.C2HF3O2/c24-15-16-5-7-17(8-6-16)23(30)29-13-11-28(12-14-29)22-21(25-18-9-10-18)26-19-3-1-2-4-20(19)27-22;3-2(4,5)1(6)7/h1-8,18H,9-14H2,(H,25,26);(H,6,7)
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| InChIKey |
YONBWZZOIODZFQ-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