General Information of the Compound
| Compound ID |
CP0444138
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| Compound Name |
5-methoxy-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 |
C21H26N6O4S
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| Molecular Weight |
458.544
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| Canonical SMILES |
COc1ccc2n(c(N)nc2c1)-c1nc(cc(n1)C1(CC1)S(C)(=O)=O)N1CCOC[C@H]1C
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| InChI |
InChI=1S/C21H26N6O4S/c1-13-12-31-9-8-26(13)18-11-17(21(6-7-21)32(3,28)29)24-20(25-18)27-16-5-4-14(30-2)10-15(16)23-19(27)22/h4-5,10-11,13H,6-9,12H2,1-3H3,(H2,22,23)/t13-/m1/s1
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| InChIKey |
NYBGLUYNHLNPCP-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