General Information of the Compound
| Compound ID |
CP0048416
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| Compound Name |
3-[[3-(3-chlorophenyl)naphthalene-1-carbonyl]amino]-2,4-dimethylbenzoic acid
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| Structure |
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| Formula |
C26H20ClNO3
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| Molecular Weight |
429.903
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| Canonical SMILES |
Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(cc2ccccc12)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C26H20ClNO3/c1-15-10-11-21(26(30)31)16(2)24(15)28-25(29)23-14-19(17-7-5-8-20(27)13-17)12-18-6-3-4-9-22(18)23/h3-14H,1-2H3,(H,28,29)(H,30,31)
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| InChIKey |
SIIGKILIYGRIJN-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