General Information of the Compound
| Compound ID |
CP0479954
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| Compound Name |
(2S)-2-(2-benzoylanilino)-3-[4-[(4-chlorophenyl)diazenyl]phenyl]propanoic acid
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| Formula |
C28H22ClN3O3
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| Molecular Weight |
483.955
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(cc1)\N=N\c1ccc(Cl)cc1)Nc1ccccc1C(=O)c1ccccc1
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| InChI |
InChI=1S/C28H22ClN3O3/c29-21-12-16-23(17-13-21)32-31-22-14-10-19(11-15-22)18-26(28(34)35)30-25-9-5-4-8-24(25)27(33)20-6-2-1-3-7-20/h1-17,26,30H,18H2,(H,34,35)/b32-31+/t26-/m0/s1
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| InChIKey |
NAQQZPQMAFYASR-SADOOTFCSA-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