General Information of the Compound
| Compound ID |
CP0290504
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| Compound Name |
N-[[3-(cyclopenten-1-yl)phenyl]methyl]-2-spiro[3H-1-benzofuran-2,1'-cyclopropane]-7-yloxyethanamine
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| Structure |
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| Formula |
C24H27NO2
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| Molecular Weight |
361.485
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| Canonical SMILES |
C(COc1cccc2CC3(CC3)Oc12)NCc1cccc(c1)C1=CCCC1
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| InChI |
InChI=1S/C24H27NO2/c1-2-7-19(6-1)20-8-3-5-18(15-20)17-25-13-14-26-22-10-4-9-21-16-24(11-12-24)27-23(21)22/h3-6,8-10,15,25H,1-2,7,11-14,16-17H2
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| InChIKey |
VTZTXBSFXXIRQU-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