General Information of the Compound
| Compound ID |
CP0156978
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| Compound Name |
(R)-4-[3-(5-Chloro-pyrimidin-2-yloxy)-pyrrolidin-1-yl]-6,7-dimethoxy-quinazoline
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| Structure |
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| Formula |
C18H18ClN5O3
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| Molecular Weight |
387.827
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| Canonical SMILES |
COc1cc2ncnc(N3CC[C@H](C3)Oc3ncc(Cl)cn3)c2cc1OC
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| InChI |
InChI=1S/C18H18ClN5O3/c1-25-15-5-13-14(6-16(15)26-2)22-10-23-17(13)24-4-3-12(9-24)27-18-20-7-11(19)8-21-18/h5-8,10,12H,3-4,9H2,1-2H3/t12-/m1/s1
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| InChIKey |
NDASMCYFWCEUSG-GFCCVEGCSA-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