General Information of the Compound
| Compound ID |
CP0444572
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| Compound Name |
4-[[4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzonitrile
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| Structure |
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| Formula |
C24H28N6
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| Molecular Weight |
400.53
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| Canonical SMILES |
N#Cc1ccc(Cn2ccc3c(ncnc23)N2CCC(CC2)N2CCCCC2)cc1
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| InChI |
InChI=1S/C24H28N6/c25-16-19-4-6-20(7-5-19)17-30-15-10-22-23(26-18-27-24(22)30)29-13-8-21(9-14-29)28-11-2-1-3-12-28/h4-7,10,15,18,21H,1-3,8-9,11-14,17H2
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| InChIKey |
GTUVRNDSGVASIF-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