General Information of the Compound
| Compound ID |
CP0445246
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| Compound Name |
(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(1S)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1-phenylprop-2-enyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C33H37N5O5
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| Molecular Weight |
583.689
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| Canonical SMILES |
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
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| InChI |
InChI=1S/C33H37N5O5/c1-21(31(41)36-27(30(35)40)20-22-9-4-2-5-10-22)29(24-11-6-3-7-12-24)37-32(42)28-13-8-18-38(28)33(43)26(34)19-23-14-16-25(39)17-15-23/h2-7,9-12,14-17,26-29,39H,1,8,13,18-20,34H2,(H2,35,40)(H,36,41)(H,37,42)/t26-,27-,28-,29+/m0/s1
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| InChIKey |
ROQAGVQWRNDSGI-XFTNXAEASA-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: PT01515, Mu-type opioid receptor