General Information of the Compound
| Compound ID |
CP0637515
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| Compound Name |
(4Z)-4-({[4-(4-Methylpiperazin-1-yl)phenyl]amino}methylene)-6-(phenylethynyl)-isoquinoline-1,3(2H,4H)-dione
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| Formula |
C29H26N4O2
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| Molecular Weight |
462.553
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| Canonical SMILES |
CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(C#Cc5ccccc5)cc43)cc2)CC1
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| InChI |
InChI=1S/C29H26N4O2/c1-32-15-17-33(18-16-32)24-12-10-23(11-13-24)30-20-27-26-19-22(8-7-21-5-3-2-4-6-21)9-14-25(26)28(34)31-29(27)35/h2-6,9-14,19-20,30H,15-18H2,1H3,(H,31,34,35)/b27-20-
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| InChIKey |
CFLIWEGBKXQVBS-OOAXWGSJSA-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