General Information of the Compound
| Compound ID |
CP0391415
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| Compound Name |
4-[2-[4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]morpholine
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| Structure |
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| Formula |
C22H34N6O
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| Molecular Weight |
398.555
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| Canonical SMILES |
C(Cn1ccc2c(ncnc12)N1CCC(CC1)N1CCCCC1)N1CCOCC1
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| InChI |
InChI=1S/C22H34N6O/c1-2-7-26(8-3-1)19-4-9-27(10-5-19)21-20-6-11-28(22(20)24-18-23-21)13-12-25-14-16-29-17-15-25/h6,11,18-19H,1-5,7-10,12-17H2
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| InChIKey |
UDHBGRHEZWDDIL-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