General Information of the Compound
| Compound ID |
CP0394920
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| Compound Name |
1-[4-[[3-methyl-1-(2-phenylethynyl)pyrrolo[1,2-a]pyrazin-7-yl]methyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C23H24N4O
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| Molecular Weight |
372.472
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| Canonical SMILES |
CC(=O)N1CCN(Cc2cc3c(nc(C)cn3c2)C#Cc2ccccc2)CC1
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| InChI |
InChI=1S/C23H24N4O/c1-18-15-27-17-21(16-25-10-12-26(13-11-25)19(2)28)14-23(27)22(24-18)9-8-20-6-4-3-5-7-20/h3-7,14-15,17H,10-13,16H2,1-2H3
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| InChIKey |
XPJJHVREQSPFHR-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