General Information of the Compound
| Compound ID |
CP0456880
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| Compound Name |
2,4-diaminopyrimidine-based antagonist, 13d
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| Structure |
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| Formula |
C22H23N5O2
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| Molecular Weight |
389.459
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| Canonical SMILES |
Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)C2CC2)cc1
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| InChI |
InChI=1S/C22H23N5O2/c23-20-19(15-8-10-17(11-9-15)25-21(28)16-6-7-16)18(26-22(24)27-20)13-29-12-14-4-2-1-3-5-14/h1-5,8-11,16H,6-7,12-13H2,(H,25,28)(H4,23,24,26,27)
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| InChIKey |
ATKRWWYTIGCNEA-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