General Information of the Compound
| Compound ID |
CP0559584
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| Compound Name |
4-N-(2,4-dimethoxyphenyl)-6-N-[2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethyl]pyrimidine-4,6-diamine
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| Formula |
C19H24N6O2S
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| Molecular Weight |
400.508
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| Canonical SMILES |
COc1ccc(Nc2cc(NCCc3nnc(s3)C(C)C)ncn2)c(OC)c1
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| InChI |
InChI=1S/C19H24N6O2S/c1-12(2)19-25-24-18(28-19)7-8-20-16-10-17(22-11-21-16)23-14-6-5-13(26-3)9-15(14)27-4/h5-6,9-12H,7-8H2,1-4H3,(H2,20,21,22,23)
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| InChIKey |
JGYZWQHYUTULEQ-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