General Information of the Compound
| Compound ID |
CP0477508
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| Compound Name |
4-[(1S)-1-[[5-(3,6-dihydro-2H-pyran-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C25H23F3N4O4
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| Molecular Weight |
500.477
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| Canonical SMILES |
C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)C1=CCOCC1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C25H23F3N4O4/c1-15(17-4-6-19(7-5-17)24(34)35)29-23(33)22-21(18-10-12-36-13-11-18)30-31-32(22)14-16-2-8-20(9-3-16)25(26,27)28/h2-10,15H,11-14H2,1H3,(H,29,33)(H,34,35)/t15-/m0/s1
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| InChIKey |
DMJQKMYZTMOPGS-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