General Information of the Compound
| Compound ID |
CP0435480
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| Compound Name |
CHEMBL4460695
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| Formula |
C24H36N4S
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| Molecular Weight |
412.647
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| Canonical SMILES |
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNC(N)=S)c2ccccc12
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| InChI |
InChI=1S/C24H36N4S/c1-17(2)18-7-9-20(10-8-18)27-13-11-21(12-14-27)28-16-19(15-26-24(25)29)22-5-3-4-6-23(22)28/h3-6,16-18,20-21H,7-15H2,1-2H3,(H3,25,26,29)/t18-,20+
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| InChIKey |
BTZMBSYIWRQRBI-PUZFROQSSA-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