General Information of the Compound
| Compound ID |
CP0954818
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| Compound Name |
N-cyclopropyl-3-(4-(2,5-difluorobenzyl)piperazin-1-yl)quinoxalin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C24H24F5N5O2
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| Molecular Weight |
509.479
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| Canonical SMILES |
Fc1ccc(F)c(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H23F2N5.C2HF3O2/c23-16-5-8-18(24)15(13-16)14-28-9-11-29(12-10-28)22-21(25-17-6-7-17)26-19-3-1-2-4-20(19)27-22;3-2(4,5)1(6)7/h1-5,8,13,17H,6-7,9-12,14H2,(H,25,26);(H,6,7)
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| InChIKey |
JACCMAOLSDKNTR-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