General Information of the Compound
| Compound ID |
CP0412643
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| Compound Name |
3,7-dimethyl-1-(2-thiophen-3-ylethynyl)pyrrolo[1,2-a]pyrazine
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| Structure |
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| Formula |
C15H12N2S
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| Molecular Weight |
252.342
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| Canonical SMILES |
Cc1cc2c(nc(C)cn2c1)C#Cc1ccsc1
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| InChI |
InChI=1S/C15H12N2S/c1-11-7-15-14(4-3-13-5-6-18-10-13)16-12(2)9-17(15)8-11/h5-10H,1-2H3
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| InChIKey |
CCICQLAZECVRDS-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