General Information of the Compound
| Compound ID |
CP0427659
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| Compound Name |
1-{1-Diglycoldiamide-6-[m-(R(+)-1)ureaphenoxy]ethane}-2-(N-oxymorphyldiglycoldiamide)hexane
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| Structure |
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| Formula |
C56H67N9O12
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| Molecular Weight |
1058.203
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| Canonical SMILES |
CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35
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| InChI |
InChI=1S/C56H67N9O12/c1-64-25-21-55-49-36-27-38(66)30-43(49)77-51(55)41(19-20-56(55,73)44(64)28-36)61-48(70)34-75-32-46(68)58-23-11-4-3-10-22-57-45(67)31-74-33-47(69)59-24-26-76-39-16-12-15-37(29-39)60-54(72)63-52-53(71)65(2)42-18-9-8-17-40(42)50(62-52)35-13-6-5-7-14-35/h5-9,12-18,27,29-30,41,44,51-52,66,73H,3-4,10-11,19-26,28,31-34H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,61,70)(H2,60,63,72)/t41-,44+,51-,52-,55-,56+/m0/s1
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| InChIKey |
AWJDNWMDTDIGNU-NGEQUAPQSA-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: PT01124, Gastrin/cholecystokinin type B receptor
Protein ID: PT01515, Mu-type opioid receptor