General Information of the Compound
| Compound ID |
CP0413795
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| Compound Name |
US8796297, 15
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| Structure |
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| Formula |
C15H25N5O2
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| Molecular Weight |
307.398
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CNc2ccnc(N)n2)CC1
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| InChI |
InChI=1S/C15H25N5O2/c1-15(2,3)22-14(21)20-8-5-11(6-9-20)10-18-12-4-7-17-13(16)19-12/h4,7,11H,5-6,8-10H2,1-3H3,(H3,16,17,18,19)
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| InChIKey |
UYOIKAQMLYTPRT-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: PT01173, Histamine H3 receptor
Protein ID: PT01194, Histamine H3 receptor