General Information of the Compound
| Compound ID |
CP0635234
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| Compound Name |
(4Z)-4-({[3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-methylene)-6-(3-furyl)isoquinoline-1,3(2H,4H)-dione
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| Formula |
C25H23FN4O3
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| Molecular Weight |
446.482
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| Canonical SMILES |
CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(-c5ccoc5)cc43)cc2F)CC1
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| InChI |
InChI=1S/C25H23FN4O3/c1-29-7-9-30(10-8-29)23-5-3-18(13-22(23)26)27-14-21-20-12-16(17-6-11-33-15-17)2-4-19(20)24(31)28-25(21)32/h2-6,11-15,27H,7-10H2,1H3,(H,28,31,32)/b21-14-
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| InChIKey |
OXQOQHSVEUWGMX-STZFKDTASA-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