General Information of the Compound
| Compound ID |
CP0060097
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| Compound Name |
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
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| Structure |
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| Formula |
C22H19FN6O
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| Molecular Weight |
402.433
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| Canonical SMILES |
COCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
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| InChI |
InChI=1S/C22H19FN6O/c1-30-13-16-7-8-28-21(16)22(24-14-26-28)27-19-5-6-20-17(10-19)11-25-29(20)12-15-3-2-4-18(23)9-15/h2-11,14H,12-13H2,1H3,(H,24,26,27)
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| InChIKey |
JJHHXMMEZIIKRB-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