General Information of the Compound
| Compound ID |
CP0379717
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| Compound Name |
(R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamido)-N-((S)-3-(4-chlorophenyl)-1-oxo-1-(4-(N-phenylpropionamido)piperidin-1-yl)propan-2-yl)hexanamide
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| Structure |
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| Formula |
C40H52ClN5O5
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| Molecular Weight |
718.339
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| Canonical SMILES |
CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1
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| InChI |
InChI=1S/C40H52ClN5O5/c1-5-7-13-35(43-38(49)34(42)25-33-26(3)22-32(47)23-27(33)4)39(50)44-36(24-28-14-16-29(41)17-15-28)40(51)45-20-18-31(19-21-45)46(37(48)6-2)30-11-9-8-10-12-30/h8-12,14-17,22-23,31,34-36,47H,5-7,13,18-21,24-25,42H2,1-4H3,(H,43,49)(H,44,50)/t34-,35+,36-/m0/s1
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| InChIKey |
NBCAOCVSBZCMGG-PDHQKIGBSA-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