General Information of the Compound
| Compound ID |
CP0848595
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| Compound Name |
N-(3-fluorobenzyl)-2-hydroxy-N-{2-[3-endo-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]oct-8-yl]-ethyl}succinamic acid
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| Formula |
C26H31FN2O5
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| Molecular Weight |
470.541
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| Canonical SMILES |
O=C(O)C(O)CC(=O)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)Cc1cccc(F)c1
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| InChI |
InChI=1S/C26H31FN2O5/c27-20-5-1-3-17(11-20)16-28(25(32)15-24(31)26(33)34)9-10-29-21-7-8-22(29)13-19(12-21)18-4-2-6-23(30)14-18/h1-6,11,14,19,21-22,24,30-31H,7-10,12-13,15-16H2,(H,33,34)/t19-,21+,22-,24?
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| InChIKey |
AZCTTZMDTGYDBD-OZTMRWABSA-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: PT01188, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor