General Information of the Compound
| Compound ID |
CP0433155
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| Compound Name |
(2-methylpiperidin-1-yl)-[3-methyl-1-(2-thiophen-3-ylethynyl)pyrrolo[1,2-a]pyrazin-7-yl]methanone
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| Structure |
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| Formula |
C21H21N3OS
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| Molecular Weight |
363.486
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| Canonical SMILES |
CC1CCCCN1C(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccsc1
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| InChI |
InChI=1S/C21H21N3OS/c1-15-12-23-13-18(21(25)24-9-4-3-5-16(24)2)11-20(23)19(22-15)7-6-17-8-10-26-14-17/h8,10-14,16H,3-5,9H2,1-2H3
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| InChIKey |
GFPFHIJEQOBAKN-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