General Information of the Compound
| Compound ID |
CP0103710
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| Compound Name |
(R)-6,7-Dimethoxy-4-[3-(2-trifluoromethyl-phenoxy)-pyrrolidin-1-yl]-quinazoline
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| Structure |
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| Formula |
C21H20F3N3O3
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| Molecular Weight |
419.403
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| Canonical SMILES |
COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccc3C(F)(F)F)c2cc1OC
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| InChI |
InChI=1S/C21H20F3N3O3/c1-28-18-9-14-16(10-19(18)29-2)25-12-26-20(14)27-8-7-13(11-27)30-17-6-4-3-5-15(17)21(22,23)24/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t13-/m1/s1
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| InChIKey |
JRTNNOOVINPMKT-CYBMUJFWSA-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