General Information of the Compound
| Compound ID |
CP0335683
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| Compound Name |
N-[[5-(cyclopenten-1-yl)pyridin-3-yl]methyl]-2-spiro[3H-1-benzofuran-2,1'-cyclopropane]-7-yloxyethanamine
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| Structure |
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| Formula |
C23H26N2O2
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| Molecular Weight |
362.473
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| Canonical SMILES |
C(COc1cccc2CC3(CC3)Oc12)NCc1cncc(c1)C1=CCCC1
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| InChI |
InChI=1S/C23H26N2O2/c1-2-5-18(4-1)20-12-17(15-25-16-20)14-24-10-11-26-21-7-3-6-19-13-23(8-9-23)27-22(19)21/h3-4,6-7,12,15-16,24H,1-2,5,8-11,13-14H2
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| InChIKey |
GKKAASDLBDVVHR-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