General Information of the Compound
| Compound ID |
CP0160129
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| Compound Name |
(R)-4-[3-(4-Ethoxy-phenoxy)-pyrrolidin-1-yl]-6,7-dimethoxy-quinazoline
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| Structure |
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| Formula |
C22H25N3O4
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| Molecular Weight |
395.459
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| Canonical SMILES |
CCOc1ccc(O[C@@H]2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)cc1
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| InChI |
InChI=1S/C22H25N3O4/c1-4-28-15-5-7-16(8-6-15)29-17-9-10-25(13-17)22-18-11-20(26-2)21(27-3)12-19(18)23-14-24-22/h5-8,11-12,14,17H,4,9-10,13H2,1-3H3/t17-/m1/s1
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| InChIKey |
DUXDVVOHXOPNKD-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