General Information of the Compound
| Compound ID |
CP0494500
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| Compound Name |
(2S)-2-[[(2R)-2-acetamido-3-(5-nitro-1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide
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| Structure |
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| Formula |
C24H26N6O6
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| Molecular Weight |
494.508
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| Canonical SMILES |
CC(=O)N[C@H](Cc1c[nH]c2ccc(cc12)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
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| InChI |
InChI=1S/C24H26N6O6/c1-14(31)28-21(10-16-12-26-19-8-7-17(30(35)36)11-18(16)19)24(34)29-20(23(33)27-13-22(25)32)9-15-5-3-2-4-6-15/h2-8,11-12,20-21,26H,9-10,13H2,1H3,(H2,25,32)(H,27,33)(H,28,31)(H,29,34)/t20-,21+/m0/s1
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| InChIKey |
SHFAKZMOIMNIRI-LEWJYISDSA-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