General Information of the Compound
| Compound ID |
CP0524140
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| Compound Name |
2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C17H19N5O2S2
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| Molecular Weight |
389.506
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| Canonical SMILES |
CCOc1ccc(cc1OC)-c1nc(CSc2nc(N)cc(N)n2)cs1
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| InChI |
InChI=1S/C17H19N5O2S2/c1-3-24-12-5-4-10(6-13(12)23-2)16-20-11(8-25-16)9-26-17-21-14(18)7-15(19)22-17/h4-8H,3,9H2,1-2H3,(H4,18,19,21,22)
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| InChIKey |
RCRHRBBNZAVXQG-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