General Information of the Compound
| Compound ID |
CP0425943
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| Compound Name |
3-[2-(dimethylamino)ethyl]-3-(4-phenoxyphenyl)-4H-isochromen-1-one
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| Structure |
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| Formula |
C25H25NO3
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| Molecular Weight |
387.479
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| Canonical SMILES |
CN(C)CCC1(Cc2ccccc2C(=O)O1)c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C25H25NO3/c1-26(2)17-16-25(18-19-8-6-7-11-23(19)24(27)29-25)20-12-14-22(15-13-20)28-21-9-4-3-5-10-21/h3-15H,16-18H2,1-2H3
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| InChIKey |
VUUHLMLZEAWBLL-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