General Information of the Compound
| Compound ID |
CP0447280
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| Compound Name |
ethyl 3-benzyl-10-(4-phenoxyphenyl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3-carboxylate
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| Structure |
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| Formula |
C31H27N3O3
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| Molecular Weight |
489.575
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| Canonical SMILES |
CCOC(=O)C1(Cc2ccccc2)CCc2cnc3c(cnn3c12)-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C31H27N3O3/c1-2-36-30(35)31(19-22-9-5-3-6-10-22)18-17-24-20-32-29-27(21-33-34(29)28(24)31)23-13-15-26(16-14-23)37-25-11-7-4-8-12-25/h3-16,20-21H,2,17-19H2,1H3
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| InChIKey |
JXQXSHWFIWWHOS-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