General Information of the Compound
| Compound ID |
CP0418305
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| Compound Name |
4-N-(cyclopropylmethyl)-2-N-(2,2-dimethylpropyl)-6-pyridin-2-ylpyrimidine-2,4-diamine
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| Structure |
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| Formula |
C18H25N5
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| Molecular Weight |
311.433
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| Canonical SMILES |
CC(C)(C)CNc1nc(NCC2CC2)cc(n1)-c1ccccn1
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| InChI |
InChI=1S/C18H25N5/c1-18(2,3)12-21-17-22-15(14-6-4-5-9-19-14)10-16(23-17)20-11-13-7-8-13/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H2,20,21,22,23)
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| InChIKey |
SRPSFDVABNXXLS-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: PT05121, G-protein coupled receptor 39
Protein ID: PT03123, G-protein coupled receptor 39