General Information of the Compound
| Compound ID |
CP0485755
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| Compound Name |
methyl 2-[1'-[(4-tert-butylcyclohexyl)methyl]-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
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| Structure |
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| Formula |
C26H38N2O3
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| Molecular Weight |
426.601
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| Canonical SMILES |
COC(=O)CN1C(=O)C2(CCN(CC3CCC(CC3)C(C)(C)C)CC2)c2ccccc12
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| InChI |
InChI=1S/C26H38N2O3/c1-25(2,3)20-11-9-19(10-12-20)17-27-15-13-26(14-16-27)21-7-5-6-8-22(21)28(24(26)30)18-23(29)31-4/h5-8,19-20H,9-18H2,1-4H3
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| InChIKey |
ISWDRBUVUQZOPW-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