General Information of the Compound
| Compound ID |
CP0553163
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| Compound Name |
3-(3,4-dihydro-2H-quinolin-1-yl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
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| Formula |
C17H24N2O2
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| Molecular Weight |
288.391
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| Canonical SMILES |
OCC1CCCN1C(=O)CCN1CCCc2ccccc12
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| InChI |
InChI=1S/C17H24N2O2/c20-13-15-7-4-11-19(15)17(21)9-12-18-10-3-6-14-5-1-2-8-16(14)18/h1-2,5,8,15,20H,3-4,6-7,9-13H2
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| InChIKey |
SHOIGSCXAHSRKT-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