General Information of the Compound
| Compound ID |
CP0946039
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| Compound Name |
2-{(R)-2-[1-((S)-(S)-1-Carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-pyrrolidin-1-yl}-2-oxo-1-((S)-phenylmethyl)-ethyl-ammonium
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| Structure |
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| Formula |
C32H37N5O4
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| Molecular Weight |
555.679
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| Canonical SMILES |
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1
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| InChI |
InChI=1S/C32H37N5O4/c33-25(19-22-11-4-1-5-12-22)32(41)37-18-10-17-28(37)31(40)36-27(21-24-15-8-3-9-16-24)30(39)35-26(29(34)38)20-23-13-6-2-7-14-23/h1-9,11-16,25-28H,10,17-21,33H2,(H2,34,38)(H,35,39)(H,36,40)/t25-,26-,27-,28+/m0/s1
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| InChIKey |
RYHITPRHAAWYLY-LAJGZZDBSA-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: PT01515, Mu-type opioid receptor