General Information of the Compound
| Compound ID |
CP0373849
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| Compound Name |
3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-6,7-dimethyl-4H-isochromen-1-one
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| Structure |
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| Formula |
C21H24ClNO2
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| Molecular Weight |
357.881
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| Canonical SMILES |
CN(C)CCC1(Cc2cc(C)c(C)cc2C(=O)O1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H24ClNO2/c1-14-11-16-13-21(9-10-23(3)4,17-5-7-18(22)8-6-17)25-20(24)19(16)12-15(14)2/h5-8,11-12H,9-10,13H2,1-4H3
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| InChIKey |
OXMQICCFMKUBIT-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