General Information of the Compound
| Compound ID |
CP0519164
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| Compound Name |
2-[3-(3-chlorophenyl)-7-(1-methylpiperidin-4-yl)oxy-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
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| Structure |
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| Formula |
C24H29ClN4O3
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| Molecular Weight |
456.974
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| Canonical SMILES |
CC(C)NC(=O)Cn1c(cn2cc(OC3CCN(C)CC3)cc2c1=O)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C24H29ClN4O3/c1-16(2)26-23(30)15-29-22(17-5-4-6-18(25)11-17)14-28-13-20(12-21(28)24(29)31)32-19-7-9-27(3)10-8-19/h4-6,11-14,16,19H,7-10,15H2,1-3H3,(H,26,30)
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| InChIKey |
HLOGWDXTOBAMLM-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