General Information of the Compound
| Compound ID |
CP0502134
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| Compound Name |
2-[3-(3-methoxyphenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
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| Structure |
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| Formula |
C26H31F3N4O4
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| Molecular Weight |
520.552
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| Canonical SMILES |
COc1cccc(c1)-c1cn2cc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NCC(F)(F)F
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| InChI |
InChI=1S/C26H31F3N4O4/c1-36-20-8-5-7-19(13-20)23-16-32-15-21(37-12-6-11-31-9-3-2-4-10-31)14-22(32)25(35)33(23)17-24(34)30-18-26(27,28)29/h5,7-8,13-16H,2-4,6,9-12,17-18H2,1H3,(H,30,34)
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| InChIKey |
LRGDQQOFQRJXRW-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