General Information of the Compound
| Compound ID |
CP0485754
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| Compound Name |
methyl 2-(1'-hexyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate
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| Structure |
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| Formula |
C21H30N2O3
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| Molecular Weight |
358.482
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| Canonical SMILES |
CCCCCCN1CCC2(CC1)C(=O)N(CC(=O)OC)c1ccccc21
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| InChI |
InChI=1S/C21H30N2O3/c1-3-4-5-8-13-22-14-11-21(12-15-22)17-9-6-7-10-18(17)23(20(21)25)16-19(24)26-2/h6-7,9-10H,3-5,8,11-16H2,1-2H3
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| InChIKey |
RQXVUPSTCKJSED-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