General Information of the Compound
| Compound ID |
CP0383908
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| Compound Name |
(2E)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylidene]-3H-inden-1-one
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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 |
O=C1\C(Cc2ccccc12)=C\c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C24H27NO2/c26-24-21(18-20-7-2-3-8-23(20)24)17-19-9-11-22(12-10-19)27-16-6-15-25-13-4-1-5-14-25/h2-3,7-12,17H,1,4-6,13-16,18H2/b21-17+
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| InChIKey |
VPWGNOUFJRWJTH-HEHNFIMWSA-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