General Information of the Compound
| Compound ID |
CP0518798
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| Compound Name |
(2E)-5-methoxy-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylidene]-3H-inden-1-one
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| Structure |
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| Formula |
C25H29NO3
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| Molecular Weight |
391.511
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| Canonical SMILES |
COc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C25H29NO3/c1-28-23-10-11-24-20(18-23)17-21(25(24)27)16-19-6-8-22(9-7-19)29-15-5-14-26-12-3-2-4-13-26/h6-11,16,18H,2-5,12-15,17H2,1H3/b21-16+
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| InChIKey |
AEIJIBBQFCXDFX-LTGZKZEYSA-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