General Information of the Compound
| Compound ID |
CP0267821
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| Compound Name |
N-(3-bromophenyl)-2,5,7,9,12-pentaoxa-16,18-diazatricyclo[11.8.0.015,20]henicosa-1(13),14,16,18,20-pentaen-19-amine
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| Structure |
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| Formula |
C20H20BrN3O5
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| Molecular Weight |
462.3
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3cc4OCCOCOCOCCOc4cc23)c1
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| InChI |
InChI=1S/C20H20BrN3O5/c21-14-2-1-3-15(8-14)24-20-16-9-18-19(10-17(16)22-11-23-20)29-7-5-26-13-27-12-25-4-6-28-18/h1-3,8-11H,4-7,12-13H2,(H,22,23,24)
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| InChIKey |
VSUSOVZFENSCKA-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