General Information of the Compound
| Compound ID |
CP0505811
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| Compound Name |
(2R)-1-benzyl-N-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C28H37N3O2
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| Molecular Weight |
447.623
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| Canonical SMILES |
CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)[C@H]1CCCN1Cc1ccccc1
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| InChI |
InChI=1S/C28H37N3O2/c1-29(27(32)26-13-7-18-31(26)21-23-9-3-2-4-10-23)16-8-17-30-19-14-28(15-20-30)25-12-6-5-11-24(25)22-33-28/h2-6,9-12,26H,7-8,13-22H2,1H3/t26-/m1/s1
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| InChIKey |
KJPCGUJVFBDVPE-AREMUKBSSA-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