General Information of the Compound
| Compound ID |
CP0770312
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| Compound Name |
METHANTHELINE
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| Synonyms |
Banthine bromide
Diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium
Gastrin I
Gastrin-1 Human
Mantheline
Methanide
Methantheline
Methanthelinium
Methanthelinum
Methanthine bromide
N,N-Diethyl-N-methyl-2-[(9H-xanthen-9-ylcarbonyl)oxy]ethanaminium
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| Structure |
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| Formula |
C21H26NO3+
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| Molecular Weight |
340.443
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| Canonical SMILES |
CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21
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| InChI |
InChI=1S/C21H26NO3/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20/h6-13,20H,4-5,14-15H2,1-3H3/q+1
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| InChIKey |
GZHFODJQISUKAY-UHFFFAOYSA-N
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| CAS |
5818-17-7
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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
Clinical Information about the Compound