General Information of the Compound
| Compound ID |
CP0867669
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| Compound Name |
3-(4-(5-bromothiophen-2-ylsulfonyl)piperazin-1-yl)-2-(cyclopropylamino)quinoxaline-6-carbonitrile 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C22H20BrF3N6O4S2
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| Molecular Weight |
633.472
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| Canonical SMILES |
N#Cc1ccc2nc(NC3CC3)c(N3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)nc2c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C20H19BrN6O2S2.C2HF3O2/c21-17-5-6-18(30-17)31(28,29)27-9-7-26(8-10-27)20-19(23-14-2-3-14)24-15-4-1-13(12-22)11-16(15)25-20;3-2(4,5)1(6)7/h1,4-6,11,14H,2-3,7-10H2,(H,23,24);(H,6,7)
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| InChIKey |
FKORAUKUFQWSQP-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