General Information of the Compound
| Compound ID |
CP0533485
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| Compound Name |
7-fluoro-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 |
C20H23FN6O3S
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| Molecular Weight |
446.508
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| Canonical SMILES |
C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2cccc(F)c12)C1(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C20H23FN6O3S/c1-12-11-30-9-8-26(12)16-10-15(20(6-7-20)31(2,28)29)24-19(25-16)27-17-13(21)4-3-5-14(17)23-18(27)22/h3-5,10,12H,6-9,11H2,1-2H3,(H2,22,23)/t12-/m1/s1
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| InChIKey |
IIIVJEAZMHWWSX-GFCCVEGCSA-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