General Information of the Compound
| Compound ID |
CP0505628
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| Compound Name |
methyl 2-[1'-(2-butyloctyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
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| Structure |
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| Formula |
C27H42N2O3
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| Molecular Weight |
442.644
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| Canonical SMILES |
CCCCCCC(CCCC)CN1CCC2(CC1)C(=O)N(CC(=O)OC)c1ccccc21
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| InChI |
InChI=1S/C27H42N2O3/c1-4-6-8-9-13-22(12-7-5-2)20-28-18-16-27(17-19-28)23-14-10-11-15-24(23)29(26(27)31)21-25(30)32-3/h10-11,14-15,22H,4-9,12-13,16-21H2,1-3H3
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| InChIKey |
KDJXKFTXUYAZNS-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