General Information of the Compound
| Compound ID |
CP0250631
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| Compound Name |
[5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(6-hydroxy-1H-indol-3-yl)methanone
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| Structure |
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| Formula |
C20H13BrN4O2
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| Molecular Weight |
421.254
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| Canonical SMILES |
Oc1ccc2c(c[nH]c2c1)C(=O)c1nc(c[nH]1)-c1c[nH]c2cc(Br)ccc12
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| InChI |
InChI=1S/C20H13BrN4O2/c21-10-1-3-12-14(7-22-16(12)5-10)18-9-24-20(25-18)19(27)15-8-23-17-6-11(26)2-4-13(15)17/h1-9,22-23,26H,(H,24,25)
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| InChIKey |
YHGQVXFIJGWOFP-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
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor