General Information of the Compound
| Compound ID |
CP0952463
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| Compound Name |
(4-chloro-3-methylphenyl)(4-(3-(cyclopropylamino)quinoxalin-2-yl)piperazin-1-yl)methanone 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H25ClF3N5O3
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| Molecular Weight |
535.954
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| Canonical SMILES |
Cc1cc(C(=O)N2CCN(c3nc4ccccc4nc3NC3CC3)CC2)ccc1Cl.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H24ClN5O.C2HF3O2/c1-15-14-16(6-9-18(15)24)23(30)29-12-10-28(11-13-29)22-21(25-17-7-8-17)26-19-4-2-3-5-20(19)27-22;3-2(4,5)1(6)7/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,25,26);(H,6,7)
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| InChIKey |
GZEASMAKVFQJGI-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