General Information of the Compound
| Compound ID |
CP0118065
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| Compound Name |
phenylpropanoic acid derivative, 40
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| Structure |
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| Formula |
C26H24N2O3
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| Molecular Weight |
412.489
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| Canonical SMILES |
Cc1oc(nc1C\C=C\c1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
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| InChI |
InChI=1S/C26H24N2O3/c1-19-23(27-25(31-19)22-9-3-2-4-10-22)11-7-8-20-12-14-21(15-13-20)18-24(26(29)30)28-16-5-6-17-28/h2-10,12-17,24H,11,18H2,1H3,(H,29,30)/b8-7+/t24-/m0/s1
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| InChIKey |
ZDSICGBVBMSSBE-UROCCOEBSA-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