General Information of the Compound
| Compound ID |
CP0373247
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| Compound Name |
6-(3-{(R)-3-[2-(3-Fluoro-4-methyl-phenyl)-1,1-dimethyl-ethylamino]-2-hydroxy-propoxy}-phenyl)-tricyclo[3.2.1.0*2,4*]octane-3-carboxylic acid
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| Structure |
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| Formula |
C29H36FNO4
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| Molecular Weight |
481.608
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| Canonical SMILES |
Cc1ccc(CC(C)(C)NC[C@@H](O)COc2cccc(c2)C2CC3CC2C2C3C2C(O)=O)cc1F
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| InChI |
InChI=1S/C29H36FNO4/c1-16-7-8-17(9-24(16)30)13-29(2,3)31-14-20(32)15-35-21-6-4-5-18(10-21)22-11-19-12-23(22)26-25(19)27(26)28(33)34/h4-10,19-20,22-23,25-27,31-32H,11-15H2,1-3H3,(H,33,34)/t19?,20-,22?,23?,25?,26?,27?/m1/s1
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| InChIKey |
OMEWJWUGGRDZKF-WREGFGOOSA-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