General Information of the Compound
| Compound ID |
CP0334440
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| Compound Name |
2,4-diaminopyrimidine-based antagonist, 13l
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| Structure |
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| Formula |
C24H22BrN5O2S
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| Molecular Weight |
524.444
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| Canonical SMILES |
Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)Cc2ccsc2Br)cc1
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| InChI |
InChI=1S/C24H22BrN5O2S/c25-22-17(10-11-33-22)12-20(31)28-18-8-6-16(7-9-18)21-19(29-24(27)30-23(21)26)14-32-13-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,28,31)(H4,26,27,29,30)
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| InChIKey |
UXTOJBWHLPSCPP-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