General Information of the Compound
| Compound ID |
CP0396830
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| Compound Name |
(2S)-2-[[(2R)-2-acetamido-3-(7-bromo-1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide
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| Structure |
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| Formula |
C24H26BrN5O4
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| Molecular Weight |
528.407
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| Canonical SMILES |
CC(=O)N[C@H](Cc1c[nH]c2c(Br)cccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
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| InChI |
InChI=1S/C24H26BrN5O4/c1-14(31)29-20(11-16-12-27-22-17(16)8-5-9-18(22)25)24(34)30-19(23(33)28-13-21(26)32)10-15-6-3-2-4-7-15/h2-9,12,19-20,27H,10-11,13H2,1H3,(H2,26,32)(H,28,33)(H,29,31)(H,30,34)/t19-,20+/m0/s1
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| InChIKey |
BAUDSBYBQBRGQC-VQTJNVASSA-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