General Information of the Compound
| Compound ID |
CP0402965
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| Compound Name |
(S)-2-amino-N-((R)-1-((S)-3-(4-chlorophenyl)-1-oxo-1-(4-(N-phenylpropionamido)piperidin-1-yl)propan-2-ylamino)-1-oxopropan-2-yl)-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
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| Structure |
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| Formula |
C37H46ClN5O5
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| Molecular Weight |
676.258
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| Canonical SMILES |
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
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| InChI |
InChI=1S/C37H46ClN5O5/c1-5-34(45)43(28-9-7-6-8-10-28)29-15-17-42(18-16-29)37(48)33(21-26-11-13-27(38)14-12-26)41-35(46)25(4)40-36(47)32(39)22-31-23(2)19-30(44)20-24(31)3/h6-14,19-20,25,29,32-33,44H,5,15-18,21-22,39H2,1-4H3,(H,40,47)(H,41,46)/t25-,32+,33+/m1/s1
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| InChIKey |
BUGZBENJTIQSLX-NRMCGMLCSA-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: PT01549, Mu-type opioid receptor