General Information of the Compound
| Compound ID |
CP0888249
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| Compound Name |
3-endo-(8-{2-[(2,6-difluorobenzyl)-methanesulfonylamino]-ethyl}-8-aza-bicyclo[3.2.1]oct-3-yl)-benzamide trifluoroacetate salt
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| Formula |
C26H30F5N3O5S
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| Molecular Weight |
591.599
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| Canonical SMILES |
CS(=O)(=O)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(C(N)=O)c1)C2)Cc1c(F)cccc1F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H29F2N3O3S.C2HF3O2/c1-33(31,32)28(15-21-22(25)6-3-7-23(21)26)10-11-29-19-8-9-20(29)14-18(13-19)16-4-2-5-17(12-16)24(27)30;3-2(4,5)1(6)7/h2-7,12,18-20H,8-11,13-15H2,1H3,(H2,27,30);(H,6,7)/t18-,19+,20-;
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| InChIKey |
CYWJJDQSIGBKDT-XLMMQIPYSA-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