General Information of the Compound
| Compound ID |
CP0489496
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| Compound Name |
2-[3-(2-chlorophenyl)-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 |
C26H33ClN4O3
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| Molecular Weight |
485.028
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| Canonical SMILES |
CC(C)NC(=O)Cn1c(cn2cc(OCCCN3CCCCC3)cc2c1=O)-c1ccccc1Cl
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| InChI |
InChI=1S/C26H33ClN4O3/c1-19(2)28-25(32)18-31-24(21-9-4-5-10-22(21)27)17-30-16-20(15-23(30)26(31)33)34-14-8-13-29-11-6-3-7-12-29/h4-5,9-10,15-17,19H,3,6-8,11-14,18H2,1-2H3,(H,28,32)
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| InChIKey |
UNLSEELNICLYTN-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