General Information of the Compound
| Compound ID |
CP0881022
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| Compound Name |
7-((R)-2-Acetylamino-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 |
C27H45N7O6
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| Molecular Weight |
563.7
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| Canonical SMILES |
CC(=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/C27H45N7O6/c1-16(35)31-21(15-17-7-3-2-4-8-17)24(37)33-20-13-12-18-9-5-11-22(34(18)26(20)39)25(38)32-19(23(28)36)10-6-14-30-27(29)40/h17-22H,2-15H2,1H3,(H2,28,36)(H,31,35)(H,32,38)(H,33,37)(H3,29,30,40)/t18-,19-,20+,21-,22+/m1/s1
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| InChIKey |
QTSHESPTWSXGCM-BDHVOXNPSA-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