General Information of the Compound
| Compound ID |
CP0939971
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| Compound Name |
N-((2S,4R)-2-(5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-4H-1,2,4-triazol-3-yl)tetrahydro-2H-pyran-4-yl)-N-methyl-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C22H23F3N6O2
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| Molecular Weight |
460.46
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| Canonical SMILES |
CN(C(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCO[C@H](c2nnc(-c3cnc4n3CCC4)[nH]2)C1
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| InChI |
InChI=1S/C22H23F3N6O2/c1-30(21(32)13-4-2-5-14(10-13)22(23,24)25)15-7-9-33-17(11-15)20-27-19(28-29-20)16-12-26-18-6-3-8-31(16)18/h2,4-5,10,12,15,17H,3,6-9,11H2,1H3,(H,27,28,29)/t15-,17+/m1/s1
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| InChIKey |
GSZZPZUAXZYKHR-WBVHZDCISA-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