General Information of the Compound
| Compound ID |
CP0415323
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| Compound Name |
2-[3-(3-chlorophenyl)-7-[2-(1-methylpiperidin-4-yl)ethoxy]-1-oxopyrrolo[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(OCCC3CCN(C)CC3)cc2c1=O)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C26H33ClN4O3/c1-18(2)28-25(32)17-31-24(20-5-4-6-21(27)13-20)16-30-15-22(14-23(30)26(31)33)34-12-9-19-7-10-29(3)11-8-19/h4-6,13-16,18-19H,7-12,17H2,1-3H3,(H,28,32)
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| InChIKey |
KICFRHMVTUUFGP-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