General Information of the Compound
| Compound ID |
CP0200998
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| Compound Name |
N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
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| Structure |
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| Formula |
C22H18N4O3
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| Molecular Weight |
386.411
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| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
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| InChI |
InChI=1S/C22H18N4O3/c23-17-6-2-4-8-19(17)24-20(27)15-11-9-14(10-12-15)13-26-21(28)16-5-1-3-7-18(16)25-22(26)29/h1-12H,13,23H2,(H,24,27)(H,25,29)
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| InChIKey |
FOVMHXCGSPMFTG-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
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000067 | HCT 116 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 800 nM
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| CL000767 | HMEC-1 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 18000 nM
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LI
LO
TS
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