General Information of the Compound
| Compound ID |
CP0562300
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| Compound Name |
6-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine
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| Formula |
C21H16N6O
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| Molecular Weight |
368.4
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| Canonical SMILES |
Cn1cc(-c2noc(n2)-c2cc(Nc3ccccc3)ncn2)c2ccccc12
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| InChI |
InChI=1S/C21H16N6O/c1-27-12-16(15-9-5-6-10-18(15)27)20-25-21(28-26-20)17-11-19(23-13-22-17)24-14-7-3-2-4-8-14/h2-13H,1H3,(H,22,23,24)
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| InChIKey |
NVVORLJXVCQAMZ-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