General Information of the Compound
| Compound ID |
CP0433158
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| Compound Name |
3-methyl-1-(2-thiophen-3-ylethynyl)pyrrolo[1,2-a]pyrazine-7-carbonitrile
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| Structure |
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| Formula |
C15H9N3S
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| Molecular Weight |
263.325
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| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C#N
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| InChI |
InChI=1S/C15H9N3S/c1-11-8-18-9-13(7-16)6-15(18)14(17-11)3-2-12-4-5-19-10-12/h4-6,8-10H,1H3
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| InChIKey |
PZGMIJRCARRJQU-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