General Information of the Compound
| Compound ID |
CP0950723
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| Compound Name |
2-[(R)-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methyl-amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-(2-furyl)methyl]prop-2-enamide
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| Structure |
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| Formula |
C32H36N6O6
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| Molecular Weight |
600.676
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| Canonical SMILES |
C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccco1
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| InChI |
InChI=1S/C32H36N6O6/c1-18(29(34)40)28(27-9-6-14-44-27)37-31(42)26(16-21-17-35-25-8-5-4-7-23(21)25)36-30(41)19(2)38(3)32(43)24(33)15-20-10-12-22(39)13-11-20/h4-14,17,19,24,26,28,35,39H,1,15-16,33H2,2-3H3,(H2,34,40)(H,36,41)(H,37,42)/t19-,24+,26+,28-/m1/s1
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| InChIKey |
NGQDZGVKQZOSOP-YVIAKKBSSA-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