General Information of the Compound
| Compound ID |
CP0431269
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| Compound Name |
methyl 2-[1'-(naphthalen-1-ylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
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| Structure |
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| Formula |
C26H26N2O3
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| Molecular Weight |
414.505
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| Canonical SMILES |
COC(=O)CN1C(=O)C2(CCN(Cc3cccc4ccccc34)CC2)c2ccccc12
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| InChI |
InChI=1S/C26H26N2O3/c1-31-24(29)18-28-23-12-5-4-11-22(23)26(25(28)30)13-15-27(16-14-26)17-20-9-6-8-19-7-2-3-10-21(19)20/h2-12H,13-18H2,1H3
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| InChIKey |
XBPCWZGIMBXHPR-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