General Information of the Compound
| Compound ID |
CP0013140
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| Compound Name |
N-hydroxy-7-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]heptanamide
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| Structure |
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| Formula |
C16H20N6O2
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| Molecular Weight |
328.376
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| Canonical SMILES |
ONC(=O)CCCCCCn1cc(cn1)-c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C16H20N6O2/c23-14(21-24)5-3-1-2-4-8-22-10-12(9-20-22)15-13-6-7-17-16(13)19-11-18-15/h6-7,9-11,24H,1-5,8H2,(H,21,23)(H,17,18,19)
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| InChIKey |
YRRVLBINSXVLFM-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
Protein ID: PT00991, Histone deacetylase 1
Cell Viability or Cytotoxicity Assay