General Information of the Compound
| Compound ID |
CP0468051
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| Compound Name |
2-Butyl-5-chloro-3-[5-oxo-11-(1H-tetrazol-5-yl)-5H-dibenzo[a,d]cyclohepten-3-ylmethyl]-3H-imidazole-4-carbaldehyde
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| Structure |
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| Formula |
C25H21ClN6O2
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| Molecular Weight |
472.936
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| Canonical SMILES |
CCCCc1nc(Cl)c(C=O)n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
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| InChI |
InChI=1S/C25H21ClN6O2/c1-2-3-8-22-27-24(26)21(14-33)32(22)13-15-9-10-18-19(11-15)23(34)17-7-5-4-6-16(17)12-20(18)25-28-30-31-29-25/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,28,29,30,31)
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| InChIKey |
ZRNTZASSCRYQEQ-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