General Information of the Compound
| Compound ID |
CP0478452
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| Compound Name |
3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl (2R)-1-benzylpyrrolidine-2-carboxylate
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| Structure |
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| Formula |
C27H34N2O3
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| Molecular Weight |
434.58
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| Canonical SMILES |
O=C(OCCCN1CCC2(CC1)OCc1ccccc21)[C@H]1CCCN1Cc1ccccc1
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| InChI |
InChI=1S/C27H34N2O3/c30-26(25-12-6-16-29(25)20-22-8-2-1-3-9-22)31-19-7-15-28-17-13-27(14-18-28)24-11-5-4-10-23(24)21-32-27/h1-5,8-11,25H,6-7,12-21H2/t25-/m1/s1
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| InChIKey |
DUKUSQZYMOMRHM-RUZDIDTESA-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