General Information of the Compound
| Compound ID |
CP0522730
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| Compound Name |
2-[3-(3-chlorophenyl)-1-oxo-7-(1-propan-2-ylpiperidin-4-yl)oxypyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
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| Structure |
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| Formula |
C26H33ClN4O3
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| Molecular Weight |
485.028
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| Canonical SMILES |
CC(C)NC(=O)Cn1c(cn2cc(OC3CCN(CC3)C(C)C)cc2c1=O)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C26H33ClN4O3/c1-17(2)28-25(32)16-31-24(19-6-5-7-20(27)12-19)15-30-14-22(13-23(30)26(31)33)34-21-8-10-29(11-9-21)18(3)4/h5-7,12-15,17-18,21H,8-11,16H2,1-4H3,(H,28,32)
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| InChIKey |
XGNIGFXFSQOEEN-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