General Information of the Compound
| Compound ID |
CP0939973
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| Compound Name |
3-chloro-N-((2S,4R)-2-(5-(imidazo[1,2-a]pyridin-3-yl)-4H-1,2,4-triazol-3-yl)tetrahydro-2H-pyran-4-yl)-N-methylbenzamide
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| Structure |
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| Formula |
C22H21ClN6O2
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| Molecular Weight |
436.903
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| Canonical SMILES |
CN(C(=O)c1cccc(Cl)c1)[C@@H]1CCO[C@H](c2nnc(-c3cnc4ccccn34)[nH]2)C1
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| InChI |
InChI=1S/C22H21ClN6O2/c1-28(22(30)14-5-4-6-15(23)11-14)16-8-10-31-18(12-16)21-25-20(26-27-21)17-13-24-19-7-2-3-9-29(17)19/h2-7,9,11,13,16,18H,8,10,12H2,1H3,(H,25,26,27)/t16-,18+/m1/s1
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| InChIKey |
GKWCMWXKLMXDQX-AEFFLSMTSA-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