General Information of the Compound
| Compound ID |
CP0638279
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| Compound Name |
N-((R)-2-Hydroxy-1-methyl-ethyl)-3-(4-isopropyl-[1,2,5]thiadiazol-3-yl)-5-(5-methyl-pyridin-2-yl)-benzamide
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| Structure |
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| Formula |
C21H24N4O2S
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| Molecular Weight |
396.516
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| Canonical SMILES |
Cc1ccc(-c2cc(C(=O)N[C@H](C)CO)cc(-c3nsnc3C(C)C)c2)nc1
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| InChI |
InChI=1S/C21H24N4O2S/c1-12(2)19-20(25-28-24-19)16-7-15(18-6-5-13(3)10-22-18)8-17(9-16)21(27)23-14(4)11-26/h5-10,12,14,26H,11H2,1-4H3,(H,23,27)/t14-/m1/s1
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| InChIKey |
XQPINVCNYOHPSK-CQSZACIVSA-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