General Information of the Compound
| Compound ID |
CP0529844
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| Compound Name |
6-{4-Cyano-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 |
C32H38N2O4
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| Molecular Weight |
514.666
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| Canonical SMILES |
CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(ccc1C#N)C1CC2CC1C1C2C1C(O)=O
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| InChI |
InChI=1S/C32H38N2O4/c1-32(2,14-18-9-19-5-3-4-6-20(19)10-18)34-16-24(35)17-38-27-13-21(7-8-22(27)15-33)25-11-23-12-26(25)29-28(23)30(29)31(36)37/h3-8,13,18,23-26,28-30,34-35H,9-12,14,16-17H2,1-2H3,(H,36,37)/t23?,24-,25?,26?,28?,29?,30?/m1/s1
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| InChIKey |
RBKBBMNRMOKHRT-HCIUYCJNSA-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