General Information of the Compound
| Compound ID |
CP0441206
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| Compound Name |
N-[4-(4-fluoro-2-methylanilino)thieno[3,2-d]pyrimidin-6-yl]-N'-hydroxyoctanediamide
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| Structure |
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| Formula |
C21H24FN5O3S
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| Molecular Weight |
445.52
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| Canonical SMILES |
Cc1cc(F)ccc1Nc1ncnc2cc(NC(=O)CCCCCCC(=O)NO)sc12
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| InChI |
InChI=1S/C21H24FN5O3S/c1-13-10-14(22)8-9-15(13)25-21-20-16(23-12-24-21)11-19(31-20)26-17(28)6-4-2-3-5-7-18(29)27-30/h8-12,30H,2-7H2,1H3,(H,26,28)(H,27,29)(H,23,24,25)
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| InChIKey |
PZBCVPLLUVMUQC-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