General Information of the Compound
| Compound ID |
CP0389938
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| Compound Name |
2-[4-[(4-tert-butylbenzoyl)-methylamino]phenyl]acetic acid
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| Structure |
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| Formula |
C20H23NO3
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| Molecular Weight |
325.408
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| Canonical SMILES |
CN(C(=O)c1ccc(cc1)C(C)(C)C)c1ccc(CC(O)=O)cc1
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| InChI |
InChI=1S/C20H23NO3/c1-20(2,3)16-9-7-15(8-10-16)19(24)21(4)17-11-5-14(6-12-17)13-18(22)23/h5-12H,13H2,1-4H3,(H,22,23)
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| InChIKey |
VQJDXPNHPULXFA-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