General Information of the Compound
| Compound ID |
CP0068245
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| Compound Name |
N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]benzimidazol-2-amine
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| Structure |
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| Formula |
C21H26N6O3S
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| Molecular Weight |
442.545
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| Canonical SMILES |
CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)S(C)(=O)=O)N1CCOC[C@H]1C
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| InChI |
InChI=1S/C21H26N6O3S/c1-14-13-30-11-10-26(14)18-12-17(21(8-9-21)31(3,28)29)24-20(25-18)27-16-7-5-4-6-15(16)23-19(27)22-2/h4-7,12,14H,8-11,13H2,1-3H3,(H,22,23)/t14-/m1/s1
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| InChIKey |
KEBPTIFOURCVEJ-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
Protein ID: PT00955, DNA-dependent protein kinase catalytic subunit
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01902, Serine-protein kinase ATM
Protein ID: PT01934, Serine/threonine-protein kinase ATR
Protein ID: PT01065, Serine/threonine-protein kinase mTOR