General Information of the Compound
| Compound ID |
CP0896492
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| Compound Name |
N-cyclopropyl-3-(4-(pyridin-4-ylmethyl)piperazin-1-yl)quinoxalin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C23H25F3N6O2
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| Molecular Weight |
474.487
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| Canonical SMILES |
O=C(O)C(F)(F)F.c1ccc2nc(N3CCN(Cc4ccncc4)CC3)c(NC3CC3)nc2c1
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| InChI |
InChI=1S/C21H24N6.C2HF3O2/c1-2-4-19-18(3-1)24-20(23-17-5-6-17)21(25-19)27-13-11-26(12-14-27)15-16-7-9-22-10-8-16;3-2(4,5)1(6)7/h1-4,7-10,17H,5-6,11-15H2,(H,23,24);(H,6,7)
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| InChIKey |
ZLHVESKVBOTJBQ-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