General Information of the Compound
| Compound ID |
CP0862611
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| Compound Name |
2-[5-(5H-Dibenzo[a,d]cyclohepten-5-yl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl]-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C24H17N3O4S
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| Molecular Weight |
443.484
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| Canonical SMILES |
O=C(O)c1csc(Cn2cc(C3c4ccccc4C=Cc4ccccc43)c(=O)[nH]c2=O)n1
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| InChI |
InChI=1S/C24H17N3O4S/c28-22-18(11-27(24(31)26-22)12-20-25-19(13-32-20)23(29)30)21-16-7-3-1-5-14(16)9-10-15-6-2-4-8-17(15)21/h1-11,13,21H,12H2,(H,29,30)(H,26,28,31)
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| InChIKey |
CZXOPPSZLQCAPX-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