General Information of the Compound
Compound ID |
CP0438578
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Compound Name |
4-[(1S)-1-[[3-[(3-fluoro-4-methoxyphenyl)methyl]-5-phenyltriazole-4-carbonyl]amino]ethyl]benzoic acid
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Structure |
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Formula |
C26H23FN4O4
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Molecular Weight |
474.492
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Canonical SMILES |
COc1ccc(Cn2nnc(c2C(=O)N[C@@H](C)c2ccc(cc2)C(O)=O)-c2ccccc2)cc1F
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InChI |
InChI=1S/C26H23FN4O4/c1-16(18-9-11-20(12-10-18)26(33)34)28-25(32)24-23(19-6-4-3-5-7-19)29-30-31(24)15-17-8-13-22(35-2)21(27)14-17/h3-14,16H,15H2,1-2H3,(H,28,32)(H,33,34)/t16-/m0/s1
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InChIKey |
LXDOEDBTKVEZSH-INIZCTEOSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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