General Information of the Compound
| Compound ID |
CP0441202
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| Compound Name |
4,4-Spiropentyl-2-(4-chlorophenyl)isoquinoline-1,3(2H,4H)-dione
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| Structure |
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| Formula |
C19H16ClNO2
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| Molecular Weight |
325.795
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| Canonical SMILES |
Clc1ccc(cc1)N1C(=O)c2ccccc2C2(CCCC2)C1=O
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| InChI |
InChI=1S/C19H16ClNO2/c20-13-7-9-14(10-8-13)21-17(22)15-5-1-2-6-16(15)19(18(21)23)11-3-4-12-19/h1-2,5-10H,3-4,11-12H2
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| InChIKey |
SULQASZPSYYHOD-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