General Information of the Compound
| Compound ID |
CP0893591
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| Compound Name |
N-Neopentyl-4-(piperazin-1-yl)pyrimidin-2-amine Bis(2,2,2-trifluoroacetate)
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| Structure |
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| Formula |
C17H25F6N5O4
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| Molecular Weight |
477.406
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| Canonical SMILES |
CC(C)(C)CNc1nccc(N2CCNCC2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C13H23N5.2C2HF3O2/c1-13(2,3)10-16-12-15-5-4-11(17-12)18-8-6-14-7-9-18;2*3-2(4,5)1(6)7/h4-5,14H,6-10H2,1-3H3,(H,15,16,17);2*(H,6,7)
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| InChIKey |
WVOSDYJKDMKSJF-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: PT01357, Histamine H2 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor