General Information of the Compound
| Compound ID |
CP0173360
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| Compound Name |
N-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-[(3,3-dimethyl-2H-1-benzofuran-7-yl)oxy]ethanamine
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| Structure |
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| Formula |
C24H29NO2
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| Molecular Weight |
363.501
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| Canonical SMILES |
CC1(C)COc2c1cccc2OCCNCc1cccc(c1)C1=CCCC1
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| InChI |
InChI=1S/C24H29NO2/c1-24(2)17-27-23-21(24)11-6-12-22(23)26-14-13-25-16-18-7-5-10-20(15-18)19-8-3-4-9-19/h5-8,10-12,15,25H,3-4,9,13-14,16-17H2,1-2H3
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| InChIKey |
MXPWGHGCCKQDEC-UHFFFAOYSA-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