General Information of the Compound
| Compound ID |
CP0635071
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| Compound Name |
(4Z)-6-(2-Furyl)-4-({[4-(4-methylpiperazin-1-yl)phenyl]amino}-methylene)isoquinoline-1,3(2H,4H)-dione
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| Formula |
C25H24N4O3
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| Molecular Weight |
428.492
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| Canonical SMILES |
CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(-c5ccco5)cc43)cc2)CC1
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| InChI |
InChI=1S/C25H24N4O3/c1-28-10-12-29(13-11-28)19-7-5-18(6-8-19)26-16-22-21-15-17(23-3-2-14-32-23)4-9-20(21)24(30)27-25(22)31/h2-9,14-16,26H,10-13H2,1H3,(H,27,30,31)/b22-16-
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| InChIKey |
UNXJXKSCRLPFCR-JWGURIENSA-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