General Information of the Compound
| Compound ID |
CP0903288
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| Compound Name |
N-cyclopropyl-3-(4-(3-methylbenzyl)piperazin-1-yl)quinoxalin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H28F3N5O2
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| Molecular Weight |
487.526
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| Canonical SMILES |
Cc1cccc(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H27N5.C2HF3O2/c1-17-5-4-6-18(15-17)16-27-11-13-28(14-12-27)23-22(24-19-9-10-19)25-20-7-2-3-8-21(20)26-23;3-2(4,5)1(6)7/h2-8,15,19H,9-14,16H2,1H3,(H,24,25);(H,6,7)
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| InChIKey |
TXZSWQSUXNFHFL-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