General Information of the Compound
| Compound ID |
CP0076584
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| Compound Name |
N-[1-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]benzimidazol-2-yl]acetamide
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| Structure |
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| Formula |
C22H26N6O4S
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| Molecular Weight |
470.555
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| Canonical SMILES |
C[C@@H]1COCCN1c1cc(nc(n1)-n1c(NC(C)=O)nc2ccccc12)C1(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C22H26N6O4S/c1-14-13-32-11-10-27(14)19-12-18(22(8-9-22)33(3,30)31)25-21(26-19)28-17-7-5-4-6-16(17)24-20(28)23-15(2)29/h4-7,12,14H,8-11,13H2,1-3H3,(H,23,24,29)/t14-/m1/s1
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| InChIKey |
ZOWUAHKIWWZCPJ-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