General Information of the Compound
| Compound ID |
CP0302092
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| Compound Name |
[3-hydroxy-4-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenyl] pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C25H28N2O4
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| Molecular Weight |
420.509
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| Canonical SMILES |
Oc1cc(OC(=O)N2CCCC2)ccc1C(=O)\C=C\c1ccc(cc1)N1CCCCC1
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| InChI |
InChI=1S/C25H28N2O4/c28-23(13-8-19-6-9-20(10-7-19)26-14-2-1-3-15-26)22-12-11-21(18-24(22)29)31-25(30)27-16-4-5-17-27/h6-13,18,29H,1-5,14-17H2/b13-8+
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| InChIKey |
ZOFSEEJXNLTOSW-MDWZMJQESA-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