General Information of the Compound
| Compound ID |
CP0117280
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| Compound Name |
N-hydroxy-4-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]amino]butanamide
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| Structure |
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| Formula |
C26H27N9O3
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| Molecular Weight |
513.562
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| Canonical SMILES |
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCCCC(=O)NO)c2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C26H27N9O3/c1-2-17(32-24-22-23(29-14-28-22)30-15-31-24)25-33-19-11-6-10-18(27-13-7-12-20(36)34-38)21(19)26(37)35(25)16-8-4-3-5-9-16/h3-6,8-11,14-15,17,27,38H,2,7,12-13H2,1H3,(H,34,36)(H2,28,29,30,31,32)/t17-/m0/s1
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| InChIKey |
WKYDWGAPOSGMLN-KRWDZBQOSA-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