General Information of the Compound
| Compound ID |
CP0151231
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| Compound Name |
Analog of Dynorphin A
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| Structure |
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| Formula |
C70H111N19O16
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| Molecular Weight |
1474.775
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| Canonical SMILES |
CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CNC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
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| InChI |
InChI=1S/C70H111N19O16/c1-7-41(6)58-67(102)78-36-53(68(103)89-30-16-22-54(89)66(101)83-46(19-11-13-27-71)60(95)85-49(31-39(2)3)62(97)84-48(69(104)105)20-12-14-28-72)81-55(91)35-52(65(100)82-47(61(96)88-58)21-15-29-76-70(74)75)87-63(98)50(32-40(4)5)86-64(99)51(34-42-17-9-8-10-18-42)80-57(93)38-77-56(92)37-79-59(94)45(73)33-43-23-25-44(90)26-24-43/h8-10,17-18,23-26,39-41,45-54,58,90H,7,11-16,19-22,27-38,71-73H2,1-6H3,(H,77,92)(H,78,102)(H,79,94)(H,80,93)(H,81,91)(H,82,100)(H,83,101)(H,84,97)(H,85,95)(H,86,99)(H,87,98)(H,88,96)(H,104,105)(H4,74,75,76)/t41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,58+/m0/s1
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| InChIKey |
HVGDKOWJKJGQMG-QUHQWUQPSA-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: PT01188, Kappa-type opioid receptor
Protein ID: PT01352, Mu-type opioid receptor