General Information of the Compound
| Compound ID |
CP0060968
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| Compound Name |
N-hydroxy-6-[2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-yl]hexanamide
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| Structure |
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| Formula |
C22H26N8O2
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| Molecular Weight |
434.504
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| Canonical SMILES |
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc(CCCCCC(=O)NO)c2ccccc2n1
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| InChI |
InChI=1S/C22H26N8O2/c1-2-15(27-22-19-21(24-12-23-19)25-13-26-22)20-28-16(9-4-3-5-11-18(31)30-32)14-8-6-7-10-17(14)29-20/h6-8,10,12-13,15,32H,2-5,9,11H2,1H3,(H,30,31)(H2,23,24,25,26,27)/t15-/m0/s1
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| InChIKey |
XQCPGFJFDSSKBD-HNNXBMFYSA-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
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00835, Histone deacetylase 2