General Information of the Compound
| Compound ID |
CP0426127
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| Compound Name |
(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(1S)-2-carbamoyl-1-naphthalen-2-ylprop-2-enyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C39H40N6O5
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| Molecular Weight |
672.786
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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](C(=C)C(N)=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C39H40N6O5/c1-23(36(41)47)35(27-15-14-25-7-2-3-8-26(25)20-27)44-37(48)33(21-28-22-42-32-10-5-4-9-30(28)32)43-38(49)34-11-6-18-45(34)39(50)31(40)19-24-12-16-29(46)17-13-24/h2-5,7-10,12-17,20,22,31,33-35,42,46H,1,6,11,18-19,21,40H2,(H2,41,47)(H,43,49)(H,44,48)/t31-,33-,34-,35+/m0/s1
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| InChIKey |
FNQKCFAVVVIHTR-HPSGNIKNSA-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