General Information of the Compound
| Compound ID |
CP0400095
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| Compound Name |
N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
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| Structure |
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| Formula |
C23H29NO5
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| Molecular Weight |
399.487
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)N(CCCO)C\C(C)=C\c1ccccc1
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| InChI |
InChI=1S/C23H29NO5/c1-17(13-18-9-6-5-7-10-18)16-24(11-8-12-25)23(26)19-14-20(27-2)22(29-4)21(15-19)28-3/h5-7,9-10,13-15,25H,8,11-12,16H2,1-4H3/b17-13+
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| InChIKey |
PAQIFIPBJXLOSL-GHRIWEEISA-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