General Information of the Compound
| Compound ID |
CP0521610
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| Compound Name |
6-(4-Fluoro-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-carbox ylic acid
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| Structure |
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| Formula |
C29H35F2NO4
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| Molecular Weight |
499.598
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| Canonical SMILES |
Cc1ccc(CC(C)(C)NC[C@@H](O)COc2cc(ccc2F)C2CC3CC2C2C3C2C(O)=O)cc1F
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| InChI |
InChI=1S/C29H35F2NO4/c1-15-4-5-16(8-23(15)31)12-29(2,3)32-13-19(33)14-36-24-11-17(6-7-22(24)30)20-9-18-10-21(20)26-25(18)27(26)28(34)35/h4-8,11,18-21,25-27,32-33H,9-10,12-14H2,1-3H3,(H,34,35)/t18?,19-,20?,21?,25?,26?,27?/m1/s1
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| InChIKey |
NJDXEXYIQVSAJU-VTKYLNCDSA-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