General Information of the Compound
| Compound ID |
CP0354838
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| Compound Name |
2-amino-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]benzimidazole-5-carbonitrile
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| Structure |
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| Formula |
C21H23N7O3S
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| Molecular Weight |
453.528
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| Canonical SMILES |
C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2cc(ccc12)C#N)C1(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C21H23N7O3S/c1-13-12-31-8-7-27(13)18-10-17(21(5-6-21)32(2,29)30)25-20(26-18)28-16-4-3-14(11-22)9-15(16)24-19(28)23/h3-4,9-10,13H,5-8,12H2,1-2H3,(H2,23,24)/t13-/m1/s1
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| InChIKey |
WHRQZJFBFNFXTN-CYBMUJFWSA-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