General Information of the Compound
| Compound ID |
CP0530104
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| Compound Name |
3-amino-4-[4-[4-(dimethylamino)-4-oxobutyl]-2-fluorophenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide
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| Structure |
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| Formula |
C21H23FN4O3S
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| Molecular Weight |
430.505
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| Canonical SMILES |
CN(C)C(=O)CCCc1ccc(Oc2cc(C)nc3sc(C(N)=O)c(N)c23)c(F)c1
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| InChI |
InChI=1S/C21H23FN4O3S/c1-11-9-15(17-18(23)19(20(24)28)30-21(17)25-11)29-14-8-7-12(10-13(14)22)5-4-6-16(27)26(2)3/h7-10H,4-6,23H2,1-3H3,(H2,24,28)
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| InChIKey |
VNYBWEASGXHCCA-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