General Information of the Compound
| Compound ID |
CP0060035
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| Compound Name |
5-(2-aminoethoxymethyl)-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
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| Structure |
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| Formula |
C23H22FN7O
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| Molecular Weight |
431.475
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| Canonical SMILES |
NCCOCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
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| InChI |
InChI=1S/C23H22FN7O/c24-19-3-1-2-16(10-19)13-31-21-5-4-20(11-18(21)12-27-31)29-23-22-17(14-32-9-7-25)6-8-30(22)28-15-26-23/h1-6,8,10-12,15H,7,9,13-14,25H2,(H,26,28,29)
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| InChIKey |
JFPGALAHAHQULC-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