General Information of the Compound
| Compound ID |
CP0502586
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| Compound Name |
methyl 2-[2-oxo-1'-(1-phenylethyl)spiro[indole-3,4'-piperidine]-1-yl]acetate
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| Structure |
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| Formula |
C23H26N2O3
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| Molecular Weight |
378.472
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| Canonical SMILES |
COC(=O)CN1C(=O)C2(CCN(CC2)C(C)c2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C23H26N2O3/c1-17(18-8-4-3-5-9-18)24-14-12-23(13-15-24)19-10-6-7-11-20(19)25(22(23)27)16-21(26)28-2/h3-11,17H,12-16H2,1-2H3
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| InChIKey |
HAQCWNMMTOKDIL-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