General Information of the Compound
| Compound ID |
CP0431674
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| Compound Name |
CHEMBL4594096
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| Formula |
C29H47N7O
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| Molecular Weight |
509.743
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| Canonical SMILES |
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNC(=O)[C@@H](N)CCCNC(N)=N)c2ccccc12
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| InChI |
InChI=1S/C29H47N7O/c1-20(2)21-9-11-23(12-10-21)35-16-13-24(14-17-35)36-19-22(25-6-3-4-8-27(25)36)18-34-28(37)26(30)7-5-15-33-29(31)32/h3-4,6,8,19-21,23-24,26H,5,7,9-18,30H2,1-2H3,(H,34,37)(H4,31,32,33)/t21-,23+,26-/m0/s1
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| InChIKey |
WLQVWCBBPYAMOQ-SYVJQLTCSA-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