General Information of the Compound
| Compound ID |
CP0635812
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| Compound Name |
6-(furan-3-yl)-4-((4-(piperidin-1-ylmethyl)phenylamino)methylene)isoquinoline-1,3(2H,4H)-dione
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| Formula |
C26H25N3O3
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| Molecular Weight |
427.504
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| Canonical SMILES |
O=C1NC(=O)c2ccc(-c3ccoc3)cc2/C1=C/Nc1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C26H25N3O3/c30-25-22-9-6-19(20-10-13-32-17-20)14-23(22)24(26(31)28-25)15-27-21-7-4-18(5-8-21)16-29-11-2-1-3-12-29/h4-10,13-15,17,27H,1-3,11-12,16H2,(H,28,30,31)/b24-15-
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| InChIKey |
VFJQYKOAZFSECZ-IWIPYMOSSA-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