General Information of the Compound
| Compound ID |
CP0420361
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| Compound Name |
4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]-2-nitrophenol
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| Structure |
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| Formula |
C17H14N4O3
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| Molecular Weight |
322.324
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| Canonical SMILES |
Cc1cc(Nc2ccc(O)c(c2)[N+]([O-])=O)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C17H14N4O3/c1-11-9-16(20-17(18-11)12-5-3-2-4-6-12)19-13-7-8-15(22)14(10-13)21(23)24/h2-10,22H,1H3,(H,18,19,20)
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| InChIKey |
DPMCPGABBOYWTR-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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000036 | MDCK-II | Canis lupus familiaris (Dog) | 1 |
| 1 |
GI50 = 49000 nM
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TI
LI
LO
TS
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