General Information of the Compound
| Compound ID |
CP0173454
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| Compound Name |
1-phenyl-3-spiro[1,3-dihydrobenzo[e]isobenzofuran-3,4'-(hexahydropyridine)]-1-yl-2-propanol
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| Structure |
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| Formula |
C26H29NO2
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| Molecular Weight |
387.523
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| Canonical SMILES |
OC(CCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
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| InChI |
InChI=1S/C26H29NO2/c28-22(12-10-20-6-2-1-3-7-20)18-27-16-14-26(15-17-27)25-13-11-21-8-4-5-9-23(21)24(25)19-29-26/h1-9,11,13,22,28H,10,12,14-19H2
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| InChIKey |
VDHDMUDOZMDKBK-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