General Information of the Compound
| Compound ID |
CP0862610
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| Compound Name |
6-[5-(5H-Dibenzo[a,d]cyclohepten-5-yl)-2-oxo-4-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl]-pyridine-2-carboxylic acid
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| Structure |
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| Formula |
C26H19N3O3S
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| Molecular Weight |
453.523
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| Canonical SMILES |
O=C(O)c1cccc(Cn2cc(C3c4ccccc4C=Cc4ccccc43)c(=S)[nH]c2=O)n1
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| InChI |
InChI=1S/C26H19N3O3S/c30-25(31)22-11-5-8-18(27-22)14-29-15-21(24(33)28-26(29)32)23-19-9-3-1-6-16(19)12-13-17-7-2-4-10-20(17)23/h1-13,15,23H,14H2,(H,30,31)(H,28,32,33)
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| InChIKey |
ZDAQQAXLIJTKNA-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