General Information of the Compound
| Compound ID |
CP0637513
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| Compound Name |
(4Z)-6-(3-Furyl)-4-({[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino}methylene)isoquinoline-1,3(2H,4H)-dione
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| Formula |
C23H22N6O3
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| Molecular Weight |
430.468
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| Canonical SMILES |
CN1CCN(c2ncc(N/C=C3\C(=O)NC(=O)c4ccc(-c5ccoc5)cc43)cn2)CC1
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| InChI |
InChI=1S/C23H22N6O3/c1-28-5-7-29(8-6-28)23-25-11-17(12-26-23)24-13-20-19-10-15(16-4-9-32-14-16)2-3-18(19)21(30)27-22(20)31/h2-4,9-14,24H,5-8H2,1H3,(H,27,30,31)/b20-13-
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| InChIKey |
XUQQUBWFYNEDMS-MOSHPQCFSA-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