General Information of the Compound
| Compound ID |
CP0454529
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| Compound Name |
N-[4-(3-tert-butylanilino)thieno[3,2-d]pyrimidin-6-yl]-N'-hydroxyoctanediamide
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| Structure |
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| Formula |
C24H31N5O3S
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| Molecular Weight |
469.611
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| Canonical SMILES |
CC(C)(C)c1cccc(Nc2ncnc3cc(NC(=O)CCCCCCC(=O)NO)sc23)c1
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| InChI |
InChI=1S/C24H31N5O3S/c1-24(2,3)16-9-8-10-17(13-16)27-23-22-18(25-15-26-23)14-21(33-22)28-19(30)11-6-4-5-7-12-20(31)29-32/h8-10,13-15,32H,4-7,11-12H2,1-3H3,(H,28,30)(H,29,31)(H,25,26,27)
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| InChIKey |
RBESUUPNLTTXDN-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