General Information of the Compound
| Compound ID |
CP0555800
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| Compound Name |
7-[[4-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
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| Structure |
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| Formula |
C24H22N4O2S2
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| Molecular Weight |
462.6
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| Canonical SMILES |
O=C(N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)c1cc2CCc3ccccc3-c2s1
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| InChI |
InChI=1S/C24H22N4O2S2/c29-21-14-18(25-24-28(21)11-12-31-24)15-26-7-9-27(10-8-26)23(30)20-13-17-6-5-16-3-1-2-4-19(16)22(17)32-20/h1-4,11-14H,5-10,15H2
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| InChIKey |
JMQVNMZJVMNLAH-UHFFFAOYSA-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