General Information of the Compound
| Compound ID |
CP0358498
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| Compound Name |
methyl 2-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methoxy]acetate
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| Structure |
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| Formula |
C24H21FN6O3
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| Molecular Weight |
460.469
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| Canonical SMILES |
COC(=O)COCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
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| InChI |
InChI=1S/C24H21FN6O3/c1-33-22(32)14-34-13-17-7-8-30-23(17)24(26-15-28-30)29-20-5-6-21-18(10-20)11-27-31(21)12-16-3-2-4-19(25)9-16/h2-11,15H,12-14H2,1H3,(H,26,28,29)
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| InChIKey |
AYUJWVQYAUDNQZ-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