General Information of the Compound
| Compound ID |
CP0428130
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| Compound Name |
(R)-6,7-Dimethoxy-4-[3-(4-trifluoromethoxy-phenoxy)-pyrrolidin-1-yl]-quinazoline
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| Structure |
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| Formula |
C21H20F3N3O4
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| Molecular Weight |
435.402
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| Canonical SMILES |
COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(OC(F)(F)F)cc3)c2cc1OC
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| InChI |
InChI=1S/C21H20F3N3O4/c1-28-18-9-16-17(10-19(18)29-2)25-12-26-20(16)27-8-7-15(11-27)30-13-3-5-14(6-4-13)31-21(22,23)24/h3-6,9-10,12,15H,7-8,11H2,1-2H3/t15-/m1/s1
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| InChIKey |
CNUBPTZHDNDDAD-OAHLLOKOSA-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
Protein ID: PT01798, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
Protein ID: PT01730, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B