General Information of the Compound
| Compound ID |
CP0903312
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| Compound Name |
N-isopropyl-3-(4-(3-methoxybenzyl)piperazin-1-yl)pyrazino[2,3-d]pyridazin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C23H28F3N7O3
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| Molecular Weight |
507.517
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| Canonical SMILES |
COc1cccc(CN2CCN(c3nc4cnncc4nc3NC(C)C)CC2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H27N7O.C2HF3O2/c1-15(2)24-20-21(26-19-13-23-22-12-18(19)25-20)28-9-7-27(8-10-28)14-16-5-4-6-17(11-16)29-3;3-2(4,5)1(6)7/h4-6,11-13,15H,7-10,14H2,1-3H3,(H,24,25);(H,6,7)
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| InChIKey |
LQTYEAGUWWPPDB-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