General Information of the Compound
| Compound ID |
CP0516588
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| Compound Name |
3-[4-(7,7-difluoro-3-azabicyclo[4.1.0]heptan-6-yl)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C28H21F5N4O2
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| Molecular Weight |
540.492
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| Canonical SMILES |
OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C12CCNCC1C2(F)F
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| InChI |
InChI=1S/C28H21F5N4O2/c29-27(30)24-14-34-10-9-26(24,27)20-5-1-16(2-6-20)18-11-19(25(38)39)13-22(12-18)37-15-23(35-36-37)17-3-7-21(8-4-17)28(31,32)33/h1-8,11-13,15,24,34H,9-10,14H2,(H,38,39)
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| InChIKey |
PWIGPKJENJKVJM-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