General Information of the Compound
| Compound ID |
CP0392600
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| Compound Name |
1-[(E)-5,5-bis(4-methoxyphenyl)pent-2-enyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C25H31NO4
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| Molecular Weight |
409.526
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| Canonical SMILES |
COc1ccc(cc1)C(C\C=C\CN1CCCC(C1)C(O)=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C25H31NO4/c1-29-22-12-8-19(9-13-22)24(20-10-14-23(30-2)15-11-20)7-3-4-16-26-17-5-6-21(18-26)25(27)28/h3-4,8-15,21,24H,5-7,16-18H2,1-2H3,(H,27,28)/b4-3+
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| InChIKey |
IIXMGYFUVJQBED-ONEGZZNKSA-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