General Information of the Compound
| Compound ID |
CP0448617
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| Compound Name |
methyl 2-[2-oxo-1'-[(2-thiophen-3-ylphenyl)methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate
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| Structure |
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| Formula |
C26H26N2O3S
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| Molecular Weight |
446.572
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| Canonical SMILES |
COC(=O)CN1C(=O)C2(CCN(Cc3ccccc3-c3ccsc3)CC2)c2ccccc12
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| InChI |
InChI=1S/C26H26N2O3S/c1-31-24(29)17-28-23-9-5-4-8-22(23)26(25(28)30)11-13-27(14-12-26)16-19-6-2-3-7-21(19)20-10-15-32-18-20/h2-10,15,18H,11-14,16-17H2,1H3
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| InChIKey |
OAGKTNNVFQRETH-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