General Information of the Compound
| Compound ID |
CP0049540
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| Compound Name |
(S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide(ICI 199441)
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| Synonyms |
(S)-3,4-Dichloro-N-methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)benzeneacetamide monohydrochloride
115199-84-3
AC1MIZCX
AKOS024458644
B6448
Benzeneacetamide, 3,4-dichloro-N-methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)-, monohydrochloride, (S)-
CTK8E9897
ICI 199,441 hydrochloride
ICI-199,441 HYDROCHLORIDE
ICI-199441
Ici 199,441
Ici 199441
J-003264
MolPort-023-275-929
N-(2-(N-Methyl-3,4-dichlorophenylacetamido)-2-phenylethyl)pyrrolidine
RT-013313
SCHEMBL7647023
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| Structure |
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| Formula |
C21H24Cl2N2O
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| Molecular Weight |
391.342
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| Canonical SMILES |
CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1
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| InChIKey |
AEJOEPSMZCEYJN-HXUWFJFHSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Clinical Information about the Compound