General Information of the Compound
| Compound ID |
CP0369258
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| Compound Name |
5-(3-aminopropoxymethyl)-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 |
C24H24FN7O
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| Molecular Weight |
445.502
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| Canonical SMILES |
NCCCOCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
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| InChI |
InChI=1S/C24H24FN7O/c25-20-4-1-3-17(11-20)14-32-22-6-5-21(12-19(22)13-28-32)30-24-23-18(15-33-10-2-8-26)7-9-31(23)29-16-27-24/h1,3-7,9,11-13,16H,2,8,10,14-15,26H2,(H,27,29,30)
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| InChIKey |
IGODIYJKZLOCRX-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