General Information of the Compound
| Compound ID |
CP0523095
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| Compound Name |
2,4-diaminopyrimidine derivative, 7j
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| Structure |
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| Formula |
C17H18ClN5S
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| Molecular Weight |
359.886
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| Canonical SMILES |
CCc1nc(N)nc(N)c1-c1ccc(NCc2csc(Cl)c2)cc1
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| InChI |
InChI=1S/C17H18ClN5S/c1-2-13-15(16(19)23-17(20)22-13)11-3-5-12(6-4-11)21-8-10-7-14(18)24-9-10/h3-7,9,21H,2,8H2,1H3,(H4,19,20,22,23)
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| InChIKey |
HIKCEIZHQIIQHG-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