General Information of the Compound
| Compound ID |
CP0103708
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| Compound Name |
(R)-4-[1-(6,7-Dimethoxy-quinazolin-4-yl)-pyrrolidin-3-yloxy]-benzonitrile
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| Structure |
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| Formula |
C21H20N4O3
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| Molecular Weight |
376.416
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| Canonical SMILES |
COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C#N)c2cc1OC
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| InChI |
InChI=1S/C21H20N4O3/c1-26-19-9-17-18(10-20(19)27-2)23-13-24-21(17)25-8-7-16(12-25)28-15-5-3-14(11-22)4-6-15/h3-6,9-10,13,16H,7-8,12H2,1-2H3/t16-/m1/s1
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| InChIKey |
GWIPZYBIMCNGCR-MRXNPFEDSA-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