General Information of the Compound
| Compound ID |
CP0371873
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| Compound Name |
1-((3R,4R)-1-Cyclooctylmethyl-3-hydroxymethyl-piperidin-4-yl)-3-ethyl-1,3-dihydro-benzoimidazol-2-one
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| Synonyms |
(+)-J-113397
00M5444DIY
1-(1-cyclooctylmethyl-3-hydroxymethyl-4-piperidyl)-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one
1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one
1-[(3R,4R)-1-cyclooctylmethyl-3-hydroxymethyl-4-piperidyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one
256640-45-6
2H-Benzimidazol-2-one,
AC1NSK6N
ATI-17000
BDBM50083230
CHEMBL357076
CompB
GTPL1691
J 113397
J-113,397
J-113397
J113397
NCGC00344513-02
SCHEMBL875219
UNII-00M5444DIY
ZINC1483900
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| Structure |
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| Formula |
C24H37N3O2
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| Molecular Weight |
399.579
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| Canonical SMILES |
CCn1c2ccccc2n([C@@H]2CCN(CC3CCCCCCC3)C[C@H]2CO)c1=O
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| InChI |
InChI=1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m0/s1
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| InChIKey |
MBGVUMXBUGIIBQ-LEWJYISDSA-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
Protein ID: PT01360, Nociceptin receptor
Cell-based Assay
Clinical Information about the Compound