General Information of the Compound
| Compound ID |
CP0460684
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| Compound Name |
2-(4-Methoxyphenyl)-4,4-dimethylisoquinoline-1,3(2H,4H)-dione
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| Structure |
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| Formula |
C18H17NO3
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| Molecular Weight |
295.338
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| Canonical SMILES |
COc1ccc(cc1)N1C(=O)c2ccccc2C(C)(C)C1=O
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| InChI |
InChI=1S/C18H17NO3/c1-18(2)15-7-5-4-6-14(15)16(20)19(17(18)21)12-8-10-13(22-3)11-9-12/h4-11H,1-3H3
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| InChIKey |
HRFCPNCQXXACCZ-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