General Information of the Compound
| Compound ID |
CP0506290
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| Compound Name |
4,4-Spirohexyl-2-(4-chlorophenyl)isoquinoline-1,3(2H,4H)-dione
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| Structure |
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| Formula |
C20H18ClNO2
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| Molecular Weight |
339.822
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| Canonical SMILES |
Clc1ccc(cc1)N1C(=O)c2ccccc2C2(CCCCC2)C1=O
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| InChI |
InChI=1S/C20H18ClNO2/c21-14-8-10-15(11-9-14)22-18(23)16-6-2-3-7-17(16)20(19(22)24)12-4-1-5-13-20/h2-3,6-11H,1,4-5,12-13H2
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| InChIKey |
LVSVYVOATDLEBG-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