General Information of the Compound
| Compound ID |
CP0549770
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| Compound Name |
US8796297, 17
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| Structure |
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| Formula |
C13H21N5O2
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| Molecular Weight |
279.344
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CC[C@H](C1)Nc1ccnc(N)n1
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| InChI |
InChI=1S/C13H21N5O2/c1-13(2,3)20-12(19)18-7-5-9(8-18)16-10-4-6-15-11(14)17-10/h4,6,9H,5,7-8H2,1-3H3,(H3,14,15,16,17)/t9-/m1/s1
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| InChIKey |
ANCRHFIYTPCEEZ-SECBINFHSA-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: PT01173, Histamine H3 receptor
Protein ID: PT01194, Histamine H3 receptor