General Information of the Compound
| Compound ID |
CP0513762
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| Compound Name |
3-methyl-1-(2-phenylethynyl)-7-(piperidin-1-ylmethyl)pyrrolo[1,2-a]pyrazine
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| Structure |
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| Formula |
C22H23N3
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| Molecular Weight |
329.447
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| Canonical SMILES |
Cc1cn2cc(CN3CCCCC3)cc2c(n1)C#Cc1ccccc1
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| InChI |
InChI=1S/C22H23N3/c1-18-15-25-17-20(16-24-12-6-3-7-13-24)14-22(25)21(23-18)11-10-19-8-4-2-5-9-19/h2,4-5,8-9,14-15,17H,3,6-7,12-13,16H2,1H3
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| InChIKey |
YXGPPFVMBDTXPF-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