General Information of the Compound
| Compound ID |
CP0850391
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| Compound Name |
7-[(S)-2-((R)-Acetylamino)-5-guanidino-pentanoylamino]-6-oxo-octahydro-quinolizine-4-carboxylic acid {(R)-1-[1-carbamoyl-2-((R)-4-chloro-phenyl)-ethylcarbamoyl]-4-ureido-butyl}-amide
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| Structure |
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| Formula |
C33H50ClN11O7
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| Molecular Weight |
748.286
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| Canonical SMILES |
CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)N2C1=O
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| InChI |
InChI=1S/C33H50ClN11O7/c1-18(46)41-22(6-3-15-39-32(36)37)28(48)43-24-14-13-21-5-2-8-26(45(21)31(24)51)30(50)42-23(7-4-16-40-33(38)52)29(49)44-25(27(35)47)17-19-9-11-20(34)12-10-19/h9-12,21-26H,2-8,13-17H2,1H3,(H2,35,47)(H,41,46)(H,42,50)(H,43,48)(H,44,49)(H4,36,37,39)(H3,38,40,52)/t21-,22+,23-,24+,25-,26+/m1/s1
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| InChIKey |
XGPDZNXHEQJDTK-RMPBONJYSA-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