General Information of the Compound
| Compound ID |
CP0539205
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| Compound Name |
4-N-ethyl-4-N-phenyl-6-N-[2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethyl]pyrimidine-4,6-diamine
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| Formula |
C19H24N6S
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| Molecular Weight |
368.51
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| Canonical SMILES |
CCN(c1ccccc1)c1cc(NCCc2nnc(s2)C(C)C)ncn1
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| InChI |
InChI=1S/C19H24N6S/c1-4-25(15-8-6-5-7-9-15)17-12-16(21-13-22-17)20-11-10-18-23-24-19(26-18)14(2)3/h5-9,12-14H,4,10-11H2,1-3H3,(H,20,21,22)
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| InChIKey |
LMKXMZWSBUBRSX-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