General Information of the Compound
| Compound ID |
CP0070621
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| Compound Name |
2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)benzonitrile
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| Structure |
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| Formula |
C13H11N3
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| Molecular Weight |
209.252
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| Canonical SMILES |
N#Cc1ccccc1C1Cc2nccn2C1
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| InChI |
InChI=1S/C13H11N3/c14-8-10-3-1-2-4-12(10)11-7-13-15-5-6-16(13)9-11/h1-6,11H,7,9H2
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| InChIKey |
KMOFNRDXTFJLAO-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
Protein ID: PT01004, Alpha-1D adrenergic receptor