General Information of the Compound
| Compound ID |
CP0454902
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| Compound Name |
1'-(4-phenylbutyl)spiro[1,3-dihydrobenzo[e]isobenzofuran-3,4'-(hexahydropyridine)]
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| Structure |
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| Formula |
C26H29NO
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| Molecular Weight |
371.524
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| Canonical SMILES |
C(CCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
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| InChI |
InChI=1S/C26H29NO/c1-2-8-21(9-3-1)10-6-7-17-27-18-15-26(16-19-27)25-14-13-22-11-4-5-12-23(22)24(25)20-28-26/h1-5,8-9,11-14H,6-7,10,15-20H2
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| InChIKey |
UNBQZPWOJXNGJG-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