General Information of the Compound
| Compound ID |
CP0319378
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| Compound Name |
phenylpropanoic acid derivative, 57
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| Structure |
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| Formula |
C34H31NO3
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| Molecular Weight |
501.626
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| Canonical SMILES |
Cc1oc(nc1CCCc1ccc(CC(C(O)=O)c2cccc(c2)-c2ccccc2)cc1)-c1ccccc1
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| InChI |
InChI=1S/C34H31NO3/c1-24-32(35-33(38-24)28-13-6-3-7-14-28)17-8-10-25-18-20-26(21-19-25)22-31(34(36)37)30-16-9-15-29(23-30)27-11-4-2-5-12-27/h2-7,9,11-16,18-21,23,31H,8,10,17,22H2,1H3,(H,36,37)
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| InChIKey |
QEVQBINBSHZTPY-UHFFFAOYSA-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