General Information of the Compound
| Compound ID |
CP0567885
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| Compound Name |
2-[(S)-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]propanoyl]amino]-3-phenylpropanoyl]amino]-phenylmethyl]prop-2-enamide
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| Structure |
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| Formula |
C32H37N5O5
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| Molecular Weight |
571.678
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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)c1ccccc1
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| InChI |
InChI=1S/C32H37N5O5/c1-20(29(34)39)28(24-12-8-5-9-13-24)36-31(41)27(19-22-10-6-4-7-11-22)35-30(40)21(2)37(3)32(42)26(33)18-23-14-16-25(38)17-15-23/h4-17,21,26-28,38H,1,18-19,33H2,2-3H3,(H2,34,39)(H,35,40)(H,36,41)/t21-,26+,27+,28-/m1/s1
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| InChIKey |
LDXFANJXIXZVQF-OZBXUNDUSA-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