General Information of the Compound
| Compound ID |
CP0466206
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| Compound Name |
N-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine
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| Formula |
C20H16N4
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| Molecular Weight |
312.376
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| Canonical SMILES |
Cc1cc(Nc2ccc3ncccc3c2)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C20H16N4/c1-14-12-19(24-20(22-14)15-6-3-2-4-7-15)23-17-9-10-18-16(13-17)8-5-11-21-18/h2-13H,1H3,(H,22,23,24)
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| InChIKey |
OHTBOWYUOVCMTB-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: PT01546, ATP-dependent translocase ABCB1
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 = 38400 nM
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TI
LI
LO
TS
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