General Information of the Compound
| Compound ID |
CP0556153
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| Compound Name |
5-[4-[(4-amino-1-bicyclo[2.2.2]octanyl)methoxy]-3-fluorophenyl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine
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| Formula |
C22H26FN5O
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| Molecular Weight |
395.482
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| Canonical SMILES |
Cc1cc(-c2ccc(OCC34CCC(N)(CC3)CC4)c(F)c2)c2cnc(N)nn12
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| InChI |
InChI=1S/C22H26FN5O/c1-14-10-16(18-12-26-20(24)27-28(14)18)15-2-3-19(17(23)11-15)29-13-21-4-7-22(25,8-5-21)9-6-21/h2-3,10-12H,4-9,13,25H2,1H3,(H2,24,27)
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| InChIKey |
NOMVDZUKCKOVTL-UHFFFAOYSA-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