General Information of the Compound
| Compound ID |
CP0117578
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| Compound Name |
N-hydroxy-5-[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]pentanamide
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| Structure |
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| Formula |
C27H28N8O3
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| Molecular Weight |
512.574
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| Canonical SMILES |
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCC(=O)NO)c2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C27H28N8O3/c1-2-19(32-25-23-24(29-15-28-23)30-16-31-25)26-33-20-13-8-10-17(9-6-7-14-21(36)34-38)22(20)27(37)35(26)18-11-4-3-5-12-18/h3-5,8,10-13,15-16,19,38H,2,6-7,9,14H2,1H3,(H,34,36)(H2,28,29,30,31,32)/t19-/m0/s1
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| InChIKey |
FFOIKUZKPAJVBY-IBGZPJMESA-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