General Information of the Compound
| Compound ID |
CP0392109
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| Compound Name |
US8748435, 35
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| Structure |
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| Formula |
C24H28N6O
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| Molecular Weight |
416.529
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| Canonical SMILES |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-c1nnc(o1)C1CCNCC1
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| InChI |
InChI=1S/C24H28N6O/c1-4-21-20(22-26-15(2)13-16(3)30(22)29-21)14-17-5-7-18(8-6-17)23-27-28-24(31-23)19-9-11-25-12-10-19/h5-8,13,19,25H,4,9-12,14H2,1-3H3
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| InChIKey |
HXPQWNPLNIEJOW-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: PT06238, G-protein coupled receptor 4
Protein ID: PT07048, G-protein coupled receptor 4
Protein ID: PT06663, G-protein coupled receptor 4
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT06364, Ovarian cancer G-protein coupled receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT06363, Psychosine receptor