General Information of the Compound
| Compound ID |
CP0935567
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| Compound Name |
3-(4-((2-chloro-5-(trifluoromethyl)phenyl)sulfonyl)piperazin-1-yl)-2-(cyclopropylamino)quinoxaline-6-carbonitrile 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H21ClF6N6O4S
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| Molecular Weight |
650.989
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| Canonical SMILES |
N#Cc1ccc2nc(NC3CC3)c(N3CCN(S(=O)(=O)c4cc(C(F)(F)F)ccc4Cl)CC3)nc2c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H20ClF3N6O2S.C2HF3O2/c24-17-5-2-15(23(25,26)27)12-20(17)36(34,35)33-9-7-32(8-10-33)22-21(29-16-3-4-16)30-18-6-1-14(13-28)11-19(18)31-22;3-2(4,5)1(6)7/h1-2,5-6,11-12,16H,3-4,7-10H2,(H,29,30);(H,6,7)
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| InChIKey |
RQHUMQAPKCZZDB-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