General Information of the Compound
| Compound ID |
CP0422988
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| Compound Name |
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid
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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 |
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CC[C@@H](N)C1
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| InChI |
InChI=1S/C13H23N5.2C2HF3O2/c1-13(2,3)9-16-12-15-6-4-11(17-12)18-7-5-10(14)8-18;2*3-2(4,5)1(6)7/h4,6,10H,5,7-9,14H2,1-3H3,(H,15,16,17);2*(H,6,7)/t10-;;/m1../s1
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| InChIKey |
OUXHKDXZJVBYCT-YQFADDPSSA-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: PT02519, Histamine H4 receptor
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Protein ID: PT04730, Histamine H4 receptor