General Information of the Compound
| Compound ID |
CP0412162
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| Compound Name |
2-[[(E)-4-oxopent-2-en-2-yl]amino]-3-[4-[2-[4-[(E)-2-phenylethenyl]phenoxy]ethoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C30H31NO5
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| Molecular Weight |
485.58
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| Canonical SMILES |
CC(=O)\C=C(/C)NC(Cc1ccc(OCCOc2ccc(\C=C\c3ccccc3)cc2)cc1)C(O)=O
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| InChI |
InChI=1S/C30H31NO5/c1-22(20-23(2)32)31-29(30(33)34)21-26-12-16-28(17-13-26)36-19-18-35-27-14-10-25(11-15-27)9-8-24-6-4-3-5-7-24/h3-17,20,29,31H,18-19,21H2,1-2H3,(H,33,34)/b9-8+,22-20+
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| InChIKey |
INGAFLWRLOIMIO-HJHDXWHGSA-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