General Information of the Compound
| Compound ID |
CP0633459
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| Compound Name |
(4Z)-4-({[4-(4-Methylpiperazin-1-yl)phenyl]amino}methylene)-6-(1H-pyrrol-1-yl)isoquinoline-1,3(2H,4H)-dione
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| Formula |
C25H25N5O2
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| Molecular Weight |
427.508
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| Canonical SMILES |
CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(-n5cccc5)cc43)cc2)CC1
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| InChI |
InChI=1S/C25H25N5O2/c1-28-12-14-30(15-13-28)19-6-4-18(5-7-19)26-17-23-22-16-20(29-10-2-3-11-29)8-9-21(22)24(31)27-25(23)32/h2-11,16-17,26H,12-15H2,1H3,(H,27,31,32)/b23-17-
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| InChIKey |
YUICBCYOYHUCDG-QJOMJCCJSA-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