General Information of the Compound
| Compound ID |
CP0485757
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| Compound Name |
1'-cyclooctylmethyl-1-(4-methoxybenzyl)spiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-2-one
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| Structure |
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| Formula |
C29H38N2O2
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| Molecular Weight |
446.635
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| Canonical SMILES |
COc1ccc(CN2C(=O)C3(CCN(CC4CCCCCCC4)CC3)c3ccccc23)cc1
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| InChI |
InChI=1S/C29H38N2O2/c1-33-25-15-13-24(14-16-25)22-31-27-12-8-7-11-26(27)29(28(31)32)17-19-30(20-18-29)21-23-9-5-3-2-4-6-10-23/h7-8,11-16,23H,2-6,9-10,17-22H2,1H3
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| InChIKey |
NRSRBKMPGXYFDE-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