General Information of the Compound
| Compound ID |
CP0861432
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| Compound Name |
(4-(3-(cyclopropylamino)quinoxalin-2-yl)piperazin-1-yl)(4-(methylsulfonyl)phenyl)methanone 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H26F3N5O5S
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| Molecular Weight |
565.574
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| Canonical SMILES |
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccccc4nc3NC3CC3)CC2)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H25N5O3S.C2HF3O2/c1-32(30,31)18-10-6-16(7-11-18)23(29)28-14-12-27(13-15-28)22-21(24-17-8-9-17)25-19-4-2-3-5-20(19)26-22;3-2(4,5)1(6)7/h2-7,10-11,17H,8-9,12-15H2,1H3,(H,24,25);(H,6,7)
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| InChIKey |
BNAOFHUQQRNIPS-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