General Information of the Compound
| Compound ID |
CP0253603
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| Compound Name |
2-((R)-1-(2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl)pyrrolidin-2-yl)-N-(benzo[d][1,3]dioxol-5-ylmethyl)acetamide
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| Structure |
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| Formula |
C22H24N6O3
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| Molecular Weight |
420.473
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| Canonical SMILES |
Cc1cc(nc(n1)-n1ccnc1)N1CCC[C@@H]1CC(=O)NCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C22H24N6O3/c1-15-9-20(26-22(25-15)27-8-6-23-13-27)28-7-2-3-17(28)11-21(29)24-12-16-4-5-18-19(10-16)31-14-30-18/h4-6,8-10,13,17H,2-3,7,11-12,14H2,1H3,(H,24,29)/t17-/m1/s1
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| InChIKey |
KGCBJOGQMCNHQZ-QGZVFWFLSA-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