General Information of the Compound
| Compound ID |
CP0547829
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| Compound Name |
2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-ylamino)benzoic acid
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| Structure |
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| Formula |
C27H30N2O3
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| Molecular Weight |
430.548
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| Canonical SMILES |
CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccccc1C(O)=O
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| InChI |
InChI=1S/C27H30N2O3/c1-4-17-10-8-11-18(5-2)25(17)23-16-24(32-3)26-21(14-9-15-22(26)29-23)28-20-13-7-6-12-19(20)27(30)31/h6-8,10-13,16,21,28H,4-5,9,14-15H2,1-3H3,(H,30,31)
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| InChIKey |
VXYOHQKMVSYNID-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