General Information of the Compound
| Compound ID |
CP0432099
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| Compound Name |
4-[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]-5-methyl-1H-pyrazole
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| Structure |
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| Formula |
C16H16N4
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| Molecular Weight |
264.332
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| Canonical SMILES |
Cc1[nH]ncc1-c1cccc2C(CCc12)c1ncc[nH]1
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| InChI |
InChI=1S/C16H16N4/c1-10-15(9-19-20-10)12-4-2-3-11-13(12)5-6-14(11)16-17-7-8-18-16/h2-4,7-9,14H,5-6H2,1H3,(H,17,18)(H,19,20)
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| InChIKey |
MACSPWGTMJSVNZ-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
Protein ID: PT01650, Alpha-2A adrenergic receptor