General Information of the Compound
| Compound ID |
CP0704078
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| Compound Name |
Endomorphin-1
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| Structure |
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| Formula |
C34H37N5O6
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| Molecular Weight |
611.699
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| Canonical SMILES |
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
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| InChI |
InChI=1S/C34H37N5O6/c35-26(17-22-12-14-24(40)15-13-22)33(43)39-16-6-11-30(39)32(42)37-28(19-23-20-36-27-10-5-4-9-25(23)27)31(41)38-29(34(44)45)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,36,40H,6,11,16-19,35H2,(H,37,42)(H,38,41)(H,44,45)/t26-,28-,29-,30-/m0/s1
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| InChIKey |
AAIFLSQNHRUBOD-SYKYGTKKSA-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