General Information of the Compound
| Compound ID |
CP0543360
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| Compound Name |
2-[(R)-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]propanoyl]amino]-3-phenylpropanoyl]amino]-(furan-2-yl)methyl]prop-2-enamide
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| Structure |
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| Formula |
C30H35N5O6
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| Molecular Weight |
561.639
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| Canonical SMILES |
C[C@@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1
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| InChI |
InChI=1S/C30H35N5O6/c1-18(27(32)37)26(25-10-7-15-41-25)34-29(39)24(17-20-8-5-4-6-9-20)33-28(38)19(2)35(3)30(40)23(31)16-21-11-13-22(36)14-12-21/h4-15,19,23-24,26,36H,1,16-17,31H2,2-3H3,(H2,32,37)(H,33,38)(H,34,39)/t19-,23+,24+,26-/m1/s1
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| InChIKey |
YQOFYKQRPLIWTL-POWYGARRSA-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