General Information of the Compound
| Compound ID |
CP0538801
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| Compound Name |
5-chloro-N-[[1-[4-[[4-(dimethylamino)-4-oxo-3,3-diphenylbutyl]amino]butyl]pyrrolidin-2-yl]methyl]-3-ethyl-2-hydroxy-6-methoxybenzamide
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| Formula |
C37H49ClN4O4
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| Molecular Weight |
649.276
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| Canonical SMILES |
CCc1cc(Cl)c(OC)c(C(=O)NCC2CCCN2CCCCNCCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)c1O
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| InChI |
InChI=1S/C37H49ClN4O4/c1-5-27-25-31(38)34(46-4)32(33(27)43)35(44)40-26-30-19-14-24-42(30)23-13-12-21-39-22-20-37(36(45)41(2)3,28-15-8-6-9-16-28)29-17-10-7-11-18-29/h6-11,15-18,25,30,39,43H,5,12-14,19-24,26H2,1-4H3,(H,40,44)
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| InChIKey |
ASFIQZWALJTDCY-UHFFFAOYSA-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: PT00943, D(3) dopamine receptor
Protein ID: PT01515, Mu-type opioid receptor