General Information of the Compound
| Compound ID |
CP0537127
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| Compound Name |
3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethynyl)pyrrolo[1,2-a]pyrazine
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| Structure |
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| Formula |
C22H24N4
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| Molecular Weight |
344.462
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| Canonical SMILES |
CN1CCN(Cc2cc3c(nc(C)cn3c2)C#Cc2ccccc2)CC1
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| InChI |
InChI=1S/C22H24N4/c1-18-15-26-17-20(16-25-12-10-24(2)11-13-25)14-22(26)21(23-18)9-8-19-6-4-3-5-7-19/h3-7,14-15,17H,10-13,16H2,1-2H3
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| InChIKey |
DPWMFRUUHKKFEF-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