General Information of the Compound
| Compound ID |
CP0450329
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| Compound Name |
[4-[5-[2-[(4-propylbenzoyl)amino]phenyl]tetrazol-2-yl]phenyl] 4-propylbenzoate
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| Structure |
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| Formula |
C33H31N5O3
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| Molecular Weight |
545.643
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| Canonical SMILES |
CCCc1ccc(cc1)C(=O)Nc1ccccc1-c1nnn(n1)-c1ccc(OC(=O)c2ccc(CCC)cc2)cc1
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| InChI |
InChI=1S/C33H31N5O3/c1-3-7-23-11-15-25(16-12-23)32(39)34-30-10-6-5-9-29(30)31-35-37-38(36-31)27-19-21-28(22-20-27)41-33(40)26-17-13-24(8-4-2)14-18-26/h5-6,9-22H,3-4,7-8H2,1-2H3,(H,34,39)
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| InChIKey |
RRHFYXGCURQFLI-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