General Information of the Compound
| Compound ID |
CP0435629
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| Compound Name |
7-(2-morpholin-4-ylethyl)-4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine
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| Structure |
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| Formula |
C22H35N7O
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| Molecular Weight |
413.57
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| Canonical SMILES |
Nc1nc(N2CCC(CC2)N2CCCCC2)c2ccn(CCN3CCOCC3)c2n1
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| InChI |
InChI=1S/C22H35N7O/c23-22-24-20(28-9-4-18(5-10-28)27-7-2-1-3-8-27)19-6-11-29(21(19)25-22)13-12-26-14-16-30-17-15-26/h6,11,18H,1-5,7-10,12-17H2,(H2,23,24,25)
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| InChIKey |
JNZALBHJESJKAI-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor