General Information of the Compound
| Compound ID |
CP0438576
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| Compound Name |
4-[(1S)-1-[[3-[(3,4-difluorophenyl)methyl]-5-phenyltriazole-4-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C25H20F2N4O3
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| Molecular Weight |
462.456
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| Canonical SMILES |
C[C@H](NC(=O)c1c(nnn1Cc1ccc(F)c(F)c1)-c1ccccc1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C25H20F2N4O3/c1-15(17-8-10-19(11-9-17)25(33)34)28-24(32)23-22(18-5-3-2-4-6-18)29-30-31(23)14-16-7-12-20(26)21(27)13-16/h2-13,15H,14H2,1H3,(H,28,32)(H,33,34)/t15-/m0/s1
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| InChIKey |
GBHKCGJAAQMJSF-HNNXBMFYSA-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