General Information of the Compound
| Compound ID |
CP0502203
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| Compound Name |
7-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmethyl)-chromen-2-one
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| Structure |
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| Formula |
C21H19NO2
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| Molecular Weight |
317.388
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| Canonical SMILES |
O=c1ccc2ccc(CN3CCC(=CC3)c3ccccc3)cc2o1
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| InChI |
InChI=1S/C21H19NO2/c23-21-9-8-19-7-6-16(14-20(19)24-21)15-22-12-10-18(11-13-22)17-4-2-1-3-5-17/h1-10,14H,11-13,15H2
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| InChIKey |
LWXHXQVCGRSPNP-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