General Information of the Compound
| Compound ID |
CP0373023
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| Compound Name |
[(2S,6R)-2,6-dimethylmorpholin-4-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 |
C21H21N3O2S
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| Molecular Weight |
379.485
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)O1)C(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccsc1
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| InChI |
InChI=1S/C21H21N3O2S/c1-14-9-23-12-18(21(25)24-10-15(2)26-16(3)11-24)8-20(23)19(22-14)5-4-17-6-7-27-13-17/h6-9,12-13,15-16H,10-11H2,1-3H3/t15-,16+
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| InChIKey |
FSLBECRQRSQGBO-IYBDPMFKSA-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