General Information of the Compound
| Compound ID |
CP0167293
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| Compound Name |
7-Benzylidenenaltrexone
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| Synonyms |
(Z)-7-Benzylidenenaltrexone
129468-28-6
7-BNTX
7-benzylidenenaltrexone
BDBM50450986
Bntx-7
C27H27NO4
CHEBI:125500
CHEMBL101519
GTPL1634
LS-172729
Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-7-(phenylmethylene)-, (5alpha)-
SCHEMBL15354616
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| Structure |
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| Formula |
C27H27NO4
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| Molecular Weight |
429.516
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| Canonical SMILES |
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)\C(C[C@@]35O)=C\c1ccccc1
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| InChI |
InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1
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| InChIKey |
WXOUFNFMPVMGFZ-BDQAUFNLSA-N
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| CAS |
153611-34-8
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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: PT01526, Delta-type opioid receptor
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