General Information of the Compound
| Compound ID |
CP0465701
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| Compound Name |
6-{Ethyl-[4-isopropyl-3-(3-phenylpropoxy)phenyl]amino}nicotinic acid
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| Structure |
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| Formula |
C26H30N2O3
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| Molecular Weight |
418.537
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| Canonical SMILES |
CCN(c1ccc(C(C)C)c(OCCCc2ccccc2)c1)c1ccc(cn1)C(O)=O
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| InChI |
InChI=1S/C26H30N2O3/c1-4-28(25-15-12-21(18-27-25)26(29)30)22-13-14-23(19(2)3)24(17-22)31-16-8-11-20-9-6-5-7-10-20/h5-7,9-10,12-15,17-19H,4,8,11,16H2,1-3H3,(H,29,30)
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| InChIKey |
NSJIEKPNKVMLGM-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