General Information of the Compound
| Compound ID |
CP0955372
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| Compound Name |
2-[3-(4-Amino-phenyl)-2-(2-{2-[2-diallylamino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-propionylamino)-propionylamino]-4-methyl-pentanoic acid
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| Structure |
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| Formula |
C37H52N6O7
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| Molecular Weight |
692.858
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| Canonical SMILES |
C=CCN(CC=C)[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(C)C(=O)NC(C)C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O
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| InChI |
InChI=1S/C37H52N6O7/c1-8-18-43(19-9-2)31(22-26-12-16-28(44)17-13-26)34(47)42-37(6,7)36(50)39-24(5)32(45)40-29(21-25-10-14-27(38)15-11-25)33(46)41-30(35(48)49)20-23(3)4/h8-17,23-24,29-31,44H,1-2,18-22,38H2,3-7H3,(H,39,50)(H,40,45)(H,41,46)(H,42,47)(H,48,49)/t24?,29-,30-,31-/m0/s1
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| InChIKey |
WKZWICLQCCFMIA-ZTPVPOQDSA-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: PT01791, Delta-type opioid receptor
Protein ID: PT01526, Delta-type opioid receptor