General Information of the Compound
| Compound ID |
CP0498343
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| Compound Name |
7-benzyl-7-(4-bromophenyl)-3,6,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene
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| Structure |
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| Formula |
C22H16BrN3
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| Molecular Weight |
402.295
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| Canonical SMILES |
Brc1ccc(cc1)C1(Cc2ccccc2)c2cccnc2-c2nccn12
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| InChI |
InChI=1S/C22H16BrN3/c23-18-10-8-17(9-11-18)22(15-16-5-2-1-3-6-16)19-7-4-12-24-20(19)21-25-13-14-26(21)22/h1-14H,15H2
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| InChIKey |
GUBSWFZQCIYNGR-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