General Information of the Compound
| Compound ID |
CP0540251
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| Compound Name |
2-Ethoxy-3-[5-oxo-11-(1H-tetrazol-5-yl)-5H-dibenzo[a,d]cyclohepten-3-ylmethyl]-3H-benzoimidazole-4-carboxylic acid
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| Structure |
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| Formula |
C27H20N6O4
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| Molecular Weight |
492.495
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| Canonical SMILES |
CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
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| InChI |
InChI=1S/C27H20N6O4/c1-2-37-27-28-22-9-5-8-19(26(35)36)23(22)33(27)14-15-10-11-18-20(12-15)24(34)17-7-4-3-6-16(17)13-21(18)25-29-31-32-30-25/h3-13H,2,14H2,1H3,(H,35,36)(H,29,30,31,32)
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| InChIKey |
UBAQZYYLQLWDFS-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