General Information of the Compound
| Compound ID |
CP0419676
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| Compound Name |
(R)-4-[3-(3-Isopropyl-phenoxy)-pyrrolidin-1-yl]-6,7-dimethoxy-quinazoline
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| Structure |
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| Formula |
C23H27N3O3
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| Molecular Weight |
393.487
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| Canonical SMILES |
COc1cc2ncnc(N3CC[C@H](C3)Oc3cccc(c3)C(C)C)c2cc1OC
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| InChI |
InChI=1S/C23H27N3O3/c1-15(2)16-6-5-7-17(10-16)29-18-8-9-26(13-18)23-19-11-21(27-3)22(28-4)12-20(19)24-14-25-23/h5-7,10-12,14-15,18H,8-9,13H2,1-4H3/t18-/m1/s1
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| InChIKey |
PKPONRIRXFIKES-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
Protein ID: PT01798, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
Protein ID: PT01730, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B