General Information of the Compound
| Compound ID |
CP0117576
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| Compound Name |
N-hydroxy-2-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C28H25N11O3
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| Molecular Weight |
563.582
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| Canonical SMILES |
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CNc3ncc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C28H25N11O3/c1-2-19(36-24-22-23(33-14-32-22)34-15-35-24)25-37-20-10-6-7-16(11-29-28-30-12-17(13-31-28)26(40)38-42)21(20)27(41)39(25)18-8-4-3-5-9-18/h3-10,12-15,19,42H,2,11H2,1H3,(H,38,40)(H,29,30,31)(H2,32,33,34,35,36)/t19-/m0/s1
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| InChIKey |
WJOMMYWEPXHYNA-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