General Information of the Compound
| Compound ID |
CP0945250
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| Compound Name |
1-[4-(4-Pyrrolidin-1-ylmethyl-benzyloxy)-phenyl]-ethanone oxalate
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| Structure |
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| Formula |
C22H25NO6
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| Molecular Weight |
399.443
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| Canonical SMILES |
CC(=O)c1ccc(OCc2ccc(CN3CCCC3)cc2)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C20H23NO2.C2H2O4/c1-16(22)19-8-10-20(11-9-19)23-15-18-6-4-17(5-7-18)14-21-12-2-3-13-21;3-1(4)2(5)6/h4-11H,2-3,12-15H2,1H3;(H,3,4)(H,5,6)
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| InChIKey |
BELJCUQQCDVGKE-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