General Information of the Compound
| Compound ID |
CP0513595
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| Compound Name |
2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
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| Structure |
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| Formula |
C27H32F4N4O3
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| Molecular Weight |
536.57
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| Canonical SMILES |
CC(C)NC(=O)Cn1c(cn2cc(OCCCN3CCCCC3)cc2c1=O)-c1ccc(F)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H32F4N4O3/c1-18(2)32-25(36)17-35-24(19-7-8-22(28)21(13-19)27(29,30)31)16-34-15-20(14-23(34)26(35)37)38-12-6-11-33-9-4-3-5-10-33/h7-8,13-16,18H,3-6,9-12,17H2,1-2H3,(H,32,36)
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| InChIKey |
YTEURPJLCXGDCT-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