General Information of the Compound
| Compound ID |
CP0309342
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| Compound Name |
2-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)pyrrolo[1,2-f][1,2,4]triazin-5-yl)methoxy)acetamide
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| Structure |
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| Formula |
C23H20FN7O2
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| Molecular Weight |
445.458
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| Canonical SMILES |
NC(=O)COCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
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| InChI |
InChI=1S/C23H20FN7O2/c24-18-3-1-2-15(8-18)11-31-20-5-4-19(9-17(20)10-27-31)29-23-22-16(12-33-13-21(25)32)6-7-30(22)28-14-26-23/h1-10,14H,11-13H2,(H2,25,32)(H,26,28,29)
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| InChIKey |
MEHRBVQTOVMMDP-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