General Information of the Compound
| Compound ID |
CP0441200
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| Compound Name |
4-(4,4-Spirohexyl-3,4-dihydro-1,3-dioxoisoquinolin-2(1H)-yl)benzonitrile
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| Structure |
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| Formula |
C21H18N2O2
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| Molecular Weight |
330.387
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| Canonical SMILES |
O=C1N(C(=O)C2(CCCCC2)c2ccccc12)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C21H18N2O2/c22-14-15-8-10-16(11-9-15)23-19(24)17-6-2-3-7-18(17)21(20(23)25)12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-13H2
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| InChIKey |
LSUMFQLLYPMCFL-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