General Information of the Compound
| Compound ID |
CP0145853
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| Compound Name |
5-[3-(dimethylamino)propoxymethyl]-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 |
C26H28FN7O
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| Molecular Weight |
473.556
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| Canonical SMILES |
CN(C)CCCOCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
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| InChI |
InChI=1S/C26H28FN7O/c1-32(2)10-4-12-35-17-20-9-11-33-25(20)26(28-18-30-33)31-23-7-8-24-21(14-23)15-29-34(24)16-19-5-3-6-22(27)13-19/h3,5-9,11,13-15,18H,4,10,12,16-17H2,1-2H3,(H,28,30,31)
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| InChIKey |
NKAFAOZJYRUFSQ-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