General Information of the Compound
| Compound ID |
CP0575903
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| Compound Name |
5-[4-(2-cyanophenoxy)-3-[(4-methylphenyl)carbamoylamino]phenyl]-2-methoxybenzoic acid
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| Structure |
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| Formula |
C29H23N3O5
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| Molecular Weight |
493.519
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| Canonical SMILES |
COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C#N)c(NC(=O)Nc2ccc(C)cc2)c1
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| InChI |
InChI=1S/C29H23N3O5/c1-18-7-11-22(12-8-18)31-29(35)32-24-16-20(19-9-13-26(36-2)23(15-19)28(33)34)10-14-27(24)37-25-6-4-3-5-21(25)17-30/h3-16H,1-2H3,(H,33,34)(H2,31,32,35)
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| InChIKey |
SNXHALQWYYARHC-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