General Information of the Compound
| Compound ID |
CP0454129
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| Compound Name |
((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
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| Structure |
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| Formula |
C27H23F10N5O2
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| Molecular Weight |
639.494
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| Canonical SMILES |
C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)N1CCn2c(C1)nnc2C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H23F10N5O2/c1-14(16-8-17(25(29,30)31)10-18(9-16)26(32,33)34)44-21-12-41(11-20(21)15-2-4-19(28)5-3-15)24(43)40-6-7-42-22(13-40)38-39-23(42)27(35,36)37/h2-5,8-10,14,20-21H,6-7,11-13H2,1H3/t14-,20+,21-/m1/s1
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| InChIKey |
QTTMGUACDYUDCN-PUCZYUMASA-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