General Information of the Compound
| Compound ID |
CP0916112
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| Compound Name |
(1S,2S,3S,5R)-benzyl 3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
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| Structure |
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| Formula |
C29H29F2NO3
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| Molecular Weight |
477.551
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| Canonical SMILES |
CN1[C@@H]2CC[C@H]1[C@H](C(=O)OCc1ccccc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2
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| InChI |
InChI=1S/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3/t24-,25+,26+,27+/m1/s1
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| InChIKey |
DCRIIMMZVJPZAH-WKAQUBQDSA-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