General Information of the Compound
| Compound ID |
CP0447287
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| Compound Name |
N'-hydroxy-N-[4-(3-methoxyanilino)thieno[3,2-d]pyrimidin-6-yl]octanediamide
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| Structure |
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| Formula |
C21H25N5O4S
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| Molecular Weight |
443.529
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| Canonical SMILES |
COc1cccc(Nc2ncnc3cc(NC(=O)CCCCCCC(=O)NO)sc23)c1
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| InChI |
InChI=1S/C21H25N5O4S/c1-30-15-8-6-7-14(11-15)24-21-20-16(22-13-23-21)12-19(31-20)25-17(27)9-4-2-3-5-10-18(28)26-29/h6-8,11-13,29H,2-5,9-10H2,1H3,(H,25,27)(H,26,28)(H,22,23,24)
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| InChIKey |
BEGWNCVXBUTKTB-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