General Information of the Compound
| Compound ID |
CP0446007
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| Compound Name |
(S)-4-cyclopentyl-2-((4-(morpholinomethyl)phenoxy)methyl)morpholine
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| Structure |
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| Formula |
C21H32N2O3
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| Molecular Weight |
360.498
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| Canonical SMILES |
C(Oc1ccc(CN2CCOCC2)cc1)[C@@H]1CN(CCO1)C1CCCC1
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| InChI |
InChI=1S/C21H32N2O3/c1-2-4-19(3-1)23-11-14-25-21(16-23)17-26-20-7-5-18(6-8-20)15-22-9-12-24-13-10-22/h5-8,19,21H,1-4,9-17H2/t21-/m0/s1
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| InChIKey |
CCLHRWBVZOMXEV-NRFANRHFSA-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: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor