General Information of the Compound
| Compound ID |
CP0930340
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| Compound Name |
7-[2-((S)-2-Acetylamino-5-(R)-guanidino-pentanoylamino)-3-cyclohexyl-propionylamino]-6-oxo-octahydro-quinolizine-4-carboxylic acid ((R)-1-carbamoyl-4-ureido-butyl)-amide
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| Structure |
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| Formula |
C33H57N11O7
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| Molecular Weight |
719.889
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| Canonical SMILES |
CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCNC(N)=O)C(N)=O)N2C1=O
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| InChI |
InChI=1S/C33H57N11O7/c1-19(45)40-23(12-7-16-38-32(35)36)28(47)43-25(18-20-8-3-2-4-9-20)29(48)42-24-15-14-21-10-5-13-26(44(21)31(24)50)30(49)41-22(27(34)46)11-6-17-39-33(37)51/h20-26H,2-18H2,1H3,(H2,34,46)(H,40,45)(H,41,49)(H,42,48)(H,43,47)(H4,35,36,38)(H3,37,39,51)/t21-,22-,23+,24+,25-,26+/m1/s1
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| InChIKey |
MMLBWVFGQOTFET-RMLCQDLPSA-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