General Information of the Compound
| Compound ID |
CP0968826
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| Compound Name |
2-[5-(5H-Dibenzo[a,d]cyclohepten-5-yl)-2-oxo-4-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl]-thiazole-5-carboxylic acid
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| Structure |
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| Formula |
C24H17N3O3S2
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| Molecular Weight |
459.552
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| Canonical SMILES |
O=C(O)c1cnc(Cn2cc(C3c4ccccc4C=Cc4ccccc43)c(=S)[nH]c2=O)s1
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| InChI |
InChI=1S/C24H17N3O3S2/c28-23(29)19-11-25-20(32-19)13-27-12-18(22(31)26-24(27)30)21-16-7-3-1-5-14(16)9-10-15-6-2-4-8-17(15)21/h1-12,21H,13H2,(H,28,29)(H,26,30,31)
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| InChIKey |
HVXNZRMHTGSZIJ-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