General Information of the Compound
| Compound ID |
CP0507806
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| Compound Name |
2-[3-(3-chloro-4-fluorophenyl)-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 |
C26H32ClFN4O3
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| Molecular Weight |
503.018
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| Canonical SMILES |
CC(C)NC(=O)Cn1c(cn2cc(OCCCN3CCCCC3)cc2c1=O)-c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C26H32ClFN4O3/c1-18(2)29-25(33)17-32-24(19-7-8-22(28)21(27)13-19)16-31-15-20(14-23(31)26(32)34)35-12-6-11-30-9-4-3-5-10-30/h7-8,13-16,18H,3-6,9-12,17H2,1-2H3,(H,29,33)
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| InChIKey |
QIVLYOBLWZRFOG-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