General Information of the Compound
| Compound ID |
CP0939972
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| Compound Name |
3-chloro-N-((2S,4R)-2-(5-(1,4-dimethyl-1H-imidazol-5-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 |
C20H23ClN6O2
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| Molecular Weight |
414.897
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| Canonical SMILES |
Cc1ncn(C)c1-c1nnc([C@@H]2C[C@H](N(C)C(=O)c3cccc(Cl)c3)CCO2)[nH]1
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| InChI |
InChI=1S/C20H23ClN6O2/c1-12-17(26(2)11-22-12)19-23-18(24-25-19)16-10-15(7-8-29-16)27(3)20(28)13-5-4-6-14(21)9-13/h4-6,9,11,15-16H,7-8,10H2,1-3H3,(H,23,24,25)/t15-,16+/m1/s1
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| InChIKey |
BXXHDFMDNCTGJA-CVEARBPZSA-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