General Information of the Compound
| Compound ID |
CP0636991
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| Compound Name |
(4Z)-4-({[4-(4-Methylpiperazin-1-yl)phenyl]amino}methylene)-6-thien-3-ylisoquinoline-1,3(2H,4H)-dione
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| Formula |
C25H24N4O2S
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| Molecular Weight |
444.56
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| Canonical SMILES |
CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(-c5ccsc5)cc43)cc2)CC1
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| InChI |
InChI=1S/C25H24N4O2S/c1-28-9-11-29(12-10-28)20-5-3-19(4-6-20)26-15-23-22-14-17(18-8-13-32-16-18)2-7-21(22)24(30)27-25(23)31/h2-8,13-16,26H,9-12H2,1H3,(H,27,30,31)/b23-15-
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| InChIKey |
UYHHHLSKVMKTKC-HAHDFKILSA-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