General Information of the Compound
Compound ID |
CP0395364
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Compound Name |
1-((R)-3-amino-2-hydroxypropyl)-3-(1-(1,2-dihydroacenaphthylen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
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Structure |
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Formula |
C29H28N4O
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Molecular Weight |
448.57
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Canonical SMILES |
NC[C@@H](O)Cn1cc(C2=CCN(CC2)C2Cc3cccc4cccc2c34)c2cc(ccc12)C#N
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InChI |
InChI=1S/C29H28N4O/c30-15-19-7-8-27-25(13-19)26(18-33(27)17-23(34)16-31)20-9-11-32(12-10-20)28-14-22-5-1-3-21-4-2-6-24(28)29(21)22/h1-9,13,18,23,28,34H,10-12,14,16-17,31H2/t23-,28?/m1/s1
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InChIKey |
CTZWWIABADGLMN-YFIOFSHDSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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