General Information of the Compound
| Compound ID |
CP0540271
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| Compound Name |
2,4-diaminopyrimidine-based antagonist, 13j
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| Structure |
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| Formula |
C23H21N5O2S
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| Molecular Weight |
431.521
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| Canonical SMILES |
Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)c2ccsc2)cc1
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| InChI |
InChI=1S/C23H21N5O2S/c24-21-20(16-6-8-18(9-7-16)26-22(29)17-10-11-31-14-17)19(27-23(25)28-21)13-30-12-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,26,29)(H4,24,25,27,28)
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| InChIKey |
WMIRSHGNCSPTIB-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