General Information of the Compound
| Compound ID |
CP0379392
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| Compound Name |
ATIPAMEZOLE
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| Synonyms |
03N9U5JAF6
104054-27-5
1H-Imidazole, 4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-
4-(2-Ethyl-2-indanyl)imidazole
4-(2-ethyl-2,3-dihydro-1h-inden-2-yl)-1h-imidazole
5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole
5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-1H-imidazole
Antisedan
Atipamezol
Atipamezol [Spanish]
Atipamezole
Atipamezolum
Atipamezolum [Latin]
C14H16N2
DSSTox_CID_29061
DSSTox_GSID_49135
DSSTox_RID_83274
MPV 1248
MPV-1248
NCGC00182707-01
UNII-03N9U5JAF6
Zeolite, type: ZSM-5
antipamezole
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| Structure |
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| Formula |
C14H16N2
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| Molecular Weight |
212.296
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| Canonical SMILES |
CCC1(Cc2ccccc2C1)c1cnc[nH]1
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| InChI |
InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
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| InChIKey |
HSWPZIDYAHLZDD-UHFFFAOYSA-N
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| CAS |
104054-27-5
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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: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT02026, Alpha-2B adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor
Clinical Information about the Compound