General Information of the Compound
| Compound ID |
CP0509568
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| Compound Name |
6-{3-[(R)-2-Hydroxy-3-(2-indan-2-yl-1,1-dimethyl-ethylamino)-propoxy]-phenyl}-tricyclo[3.2.1.0*2,4*]octane-3-carboxylic acid
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| Structure |
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| Formula |
C31H39NO4
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| Molecular Weight |
489.656
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| Canonical SMILES |
CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cccc(c1)C1CC2CC1C1C2C1C(O)=O
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| InChI |
InChI=1S/C31H39NO4/c1-31(2,15-18-10-19-6-3-4-7-20(19)11-18)32-16-23(33)17-36-24-9-5-8-21(12-24)25-13-22-14-26(25)28-27(22)29(28)30(34)35/h3-9,12,18,22-23,25-29,32-33H,10-11,13-17H2,1-2H3,(H,34,35)/t22?,23-,25?,26?,27?,28?,29?/m1/s1
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| InChIKey |
SQPUPAACQRNHPK-JUFKISOUSA-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