General Information of the Compound
| Compound ID |
CP0115097
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| Compound Name |
(E)-1-(4-chloropiperidin-1-yl)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-en-1-one
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| Structure |
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| Formula |
C25H28ClNO4
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| Molecular Weight |
441.955
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| Canonical SMILES |
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N2CCC(Cl)CC2)cc1
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| InChI |
InChI=1S/C25H28ClNO4/c1-29-21-8-5-18(6-9-21)4-7-19-16-22(30-2)17-24(31-3)23(19)10-11-25(28)27-14-12-20(26)13-15-27/h4-11,16-17,20H,12-15H2,1-3H3/b7-4+,11-10+
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| InChIKey |
CWGPKADKUXFWDR-QPABKMLOSA-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