General Information of the Compound
| Compound ID |
CP0169994
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| Compound Name |
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[6-(3-fluoroanilino)-1H-indazol-3-yl]amino]-4-methoxyphenyl]prop-2-enamide
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| Structure |
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| Formula |
C28H32FN7O2
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| Molecular Weight |
517.609
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| Canonical SMILES |
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2cc(Nc3cccc(F)c3)ccc12
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| InChI |
InChI=1S/C28H32FN7O2/c1-6-27(37)31-23-16-24(26(38-5)17-25(23)36(4)13-12-35(2)3)32-28-21-11-10-20(15-22(21)33-34-28)30-19-9-7-8-18(29)14-19/h6-11,14-17,30H,1,12-13H2,2-5H3,(H,31,37)(H2,32,33,34)
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| InChIKey |
JLPBXDBUHXLBON-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