General Information of the Compound
| Compound ID |
CP0051686
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| Compound Name |
(2R)-N-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-(6-ethyl-2-(1H-imidazol-1-yl)pyrimidin-4-yl)pyrrolidine-2-carboxamide
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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]1C(=O)NCCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C23H26N6O3/c1-2-17-13-21(27-23(26-17)28-11-9-24-14-28)29-10-3-4-18(29)22(30)25-8-7-16-5-6-19-20(12-16)32-15-31-19/h5-6,9,11-14,18H,2-4,7-8,10,15H2,1H3,(H,25,30)/t18-/m1/s1
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| InChIKey |
BXVNHBCLUUHXBC-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