General Information of the Compound
| Compound ID |
CP0135116
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| Compound Name |
2,4-diaminopyrimidine-based antagonist, 4c
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| Structure |
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| Formula |
C20H23N5O2S
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| Molecular Weight |
397.504
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| Canonical SMILES |
CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C20H23N5O2S/c1-3-17-18(19(21)25-20(22)24-17)14-6-8-15(9-7-14)23-12-13-4-10-16(11-5-13)28(2,26)27/h4-11,23H,3,12H2,1-2H3,(H4,21,22,24,25)
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| InChIKey |
IIMYRTZDWODUAY-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
Protein ID: PT01155, Growth hormone secretagogue receptor type 1