General Information of the Compound
| Compound ID |
CP0048414
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| Compound Name |
4-[[3-[3-(hydroxymethyl)phenyl]naphthalene-1-carbonyl]amino]-3,5-dimethylbenzoic acid
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| Structure |
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| Formula |
C27H23NO4
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| Molecular Weight |
425.484
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| Canonical SMILES |
Cc1cc(cc(C)c1NC(=O)c1cc(cc2ccccc12)-c1cccc(CO)c1)C(O)=O
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| InChI |
InChI=1S/C27H23NO4/c1-16-10-22(27(31)32)11-17(2)25(16)28-26(30)24-14-21(13-20-7-3-4-9-23(20)24)19-8-5-6-18(12-19)15-29/h3-14,29H,15H2,1-2H3,(H,28,30)(H,31,32)
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| InChIKey |
UQSBIRBMEGNXCN-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