General Information of the Compound
| Compound ID |
CP0168855
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| Compound Name |
N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl]benzimidazol-2-amine
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| Structure |
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| Formula |
C21H27N7O2S
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| Molecular Weight |
441.561
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| Canonical SMILES |
CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)[S@@](C)(=N)=O)N1CCOC[C@H]1C
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| InChI |
InChI=1S/C21H27N7O2S/c1-14-13-30-11-10-27(14)18-12-17(21(8-9-21)31(3,22)29)25-20(26-18)28-16-7-5-4-6-15(16)24-19(28)23-2/h4-7,12,14,22H,8-11,13H2,1-3H3,(H,23,24)/t14-,31+/m1/s1
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| InChIKey |
JESNSKPPMWEWAT-YSVRNHBLSA-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