General Information of the Compound
| Compound ID |
CP0931134
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| Compound Name |
3-(4-(2,5-dichlorobenzyl)piperazin-1-yl)-N-isopropylquinoxalin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C24H26Cl2F3N5O2
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| Molecular Weight |
544.405
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| Canonical SMILES |
CC(C)Nc1nc2ccccc2nc1N1CCN(Cc2cc(Cl)ccc2Cl)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H25Cl2N5.C2HF3O2/c1-15(2)25-21-22(27-20-6-4-3-5-19(20)26-21)29-11-9-28(10-12-29)14-16-13-17(23)7-8-18(16)24;3-2(4,5)1(6)7/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26);(H,6,7)
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| InChIKey |
CNQDVRIDPCQPHJ-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