General Information of the Compound
| Compound ID |
CP0849534
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| Compound Name |
(4-(3-(cyclopropylamino)quinoxalin-2-yl)piperazin-1-yl)(3,4-dichlorophenyl)methanone 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C24H22Cl2F3N5O3
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| Molecular Weight |
556.372
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| Canonical SMILES |
O=C(O)C(F)(F)F.O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2nc3ccccc3nc2NC2CC2)CC1
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| InChI |
InChI=1S/C22H21Cl2N5O.C2HF3O2/c23-16-8-5-14(13-17(16)24)22(30)29-11-9-28(10-12-29)21-20(25-15-6-7-15)26-18-3-1-2-4-19(18)27-21;3-2(4,5)1(6)7/h1-5,8,13,15H,6-7,9-12H2,(H,25,26);(H,6,7)
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| InChIKey |
PMDAMFBCJQEURR-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