General Information of the Compound
| Compound ID |
CP0561937
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| Compound Name |
(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C34H44N8O5
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| Molecular Weight |
644.777
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| Canonical SMILES |
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCC(N)=O
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| InChI |
InChI=1S/C34H44N8O5/c1-20-15-25(43)16-21(2)26(20)18-27(35)31(45)41-28(9-6-14-39-34(37)38)33(47)42-29(32(46)40-19-30(36)44)17-22-10-12-24(13-11-22)23-7-4-3-5-8-23/h3-5,7-8,10-13,15-16,27-29,43H,6,9,14,17-19,35H2,1-2H3,(H2,36,44)(H,40,46)(H,41,45)(H,42,47)(H4,37,38,39)/t27-,28+,29-/m0/s1
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| InChIKey |
XKEOLXYYXTZRSV-NHKHRBQYSA-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: PT01791, Delta-type opioid receptor
Protein ID: PT02699, Mu-type opioid receptor