General Information of the Compound
| Compound ID |
CP0845336
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| Compound Name |
3-(2-(Allylmethylamino)ethyl)-3-(4-chlorophenyl)isochroman-1-one oxalate
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| Structure |
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| Formula |
C23H24ClNO6
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| Molecular Weight |
445.899
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| Canonical SMILES |
C=CCN(C)CCC1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C21H22ClNO2.C2H2O4/c1-3-13-23(2)14-12-21(17-8-10-18(22)11-9-17)15-16-6-4-5-7-19(16)20(24)25-21;3-1(4)2(5)6/h3-11H,1,12-15H2,2H3;(H,3,4)(H,5,6)
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| InChIKey |
MAGGPUVZORYGHD-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