General Information of the Compound
| Compound ID |
CP0433712
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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 |
C23H26N6O3
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| Molecular Weight |
434.5
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| Canonical SMILES |
CCc1cc(nc(n1)-n1ccnc1)N1CCC[C@@H]1CC(=O)NCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C23H26N6O3/c1-2-17-11-21(27-23(26-17)28-9-7-24-14-28)29-8-3-4-18(29)12-22(30)25-13-16-5-6-19-20(10-16)32-15-31-19/h5-7,9-11,14,18H,2-4,8,12-13,15H2,1H3,(H,25,30)/t18-/m1/s1
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| InChIKey |
QZMBUROFNSSUCP-GOSISDBHSA-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