General Information of the Compound
| Compound ID |
CP0041255
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| Compound Name |
(+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl)(3-methoxyphenyl)methyl)-N,N-diethylbenzamide
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| Synonyms |
156727-74-1
4-((2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl)(3-methoxyphenyl)methyl)-N,N-diethylbenzamide (2S-(1(S*),2alpha,5beta))-
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide
Benzamide, 4-((2,5-dimethyl-4-(2-propenyl)-1-piperazinyl)(3-methoxyphenyl)methyl)-N,N-diethyl-, (2S-(1(S*),2alpha,5bet))-
CHEMBL13470
DSSTox_CID_25662
DSSTox_GSID_45662
DSSTox_RID_81039
NCGC00024777-02
NSC707484
SNC-80
SNC80
Snc 80
Snc-80
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| Structure |
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| Formula |
C28H39N3O2
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| Molecular Weight |
449.639
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
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| InChI |
InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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| InChIKey |
KQWVAUSXZDRQPZ-UMTXDNHDSA-N
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| CAS |
156727-74-1
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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
Cell-based Assay
Protein ID: PT01791, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01460, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT02699, Mu-type opioid receptor
Clinical Information about the Compound
Drug 1 ( SNC-80 )
| Drug Name | SNC-80 | ||
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| Target(s) |
Opioid receptor delta (OPRD1)
Agonist
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