General Information of the Compound
| Compound ID |
CP0091870
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| Compound Name |
(R)-4-[3-(4-tert-Butyl-phenoxy)-pyrrolidin-1-yl]-6,7-dimethoxy-quinazoline
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| Structure |
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| Formula |
C24H29N3O3
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| Molecular Weight |
407.514
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| Canonical SMILES |
COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C(C)(C)C)c2cc1OC
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| InChI |
InChI=1S/C24H29N3O3/c1-24(2,3)16-6-8-17(9-7-16)30-18-10-11-27(14-18)23-19-12-21(28-4)22(29-5)13-20(19)25-15-26-23/h6-9,12-13,15,18H,10-11,14H2,1-5H3/t18-/m1/s1
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| InChIKey |
FDQFJBXHRLSJAL-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