General Information of the Compound
| Compound ID |
CP0569824
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| Compound Name |
(2E)-5-[(4-bromophenyl)methoxy]-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylidene]-3H-inden-1-one
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| Structure |
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| Formula |
C31H32BrNO3
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| Molecular Weight |
546.505
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| Canonical SMILES |
Brc1ccc(COc2ccc3C(=O)\C(Cc3c2)=C\c2ccc(OCCCN3CCCCC3)cc2)cc1
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| InChI |
InChI=1S/C31H32BrNO3/c32-27-9-5-24(6-10-27)22-36-29-13-14-30-25(21-29)20-26(31(30)34)19-23-7-11-28(12-8-23)35-18-4-17-33-15-2-1-3-16-33/h5-14,19,21H,1-4,15-18,20,22H2/b26-19+
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| InChIKey |
JJPGVZOMHHYPJU-LGUFXXKBSA-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