General Information of the Compound
| Compound ID |
CP0470494
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| Compound Name |
7-[(4-fluorophenyl)methyl]-4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidine
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| Structure |
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| Formula |
C23H28FN5
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| Molecular Weight |
393.51
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| Canonical SMILES |
Fc1ccc(Cn2ccc3c(ncnc23)N2CCC(CC2)N2CCCCC2)cc1
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| InChI |
InChI=1S/C23H28FN5/c24-19-6-4-18(5-7-19)16-29-15-10-21-22(25-17-26-23(21)29)28-13-8-20(9-14-28)27-11-2-1-3-12-27/h4-7,10,15,17,20H,1-3,8-9,11-14,16H2
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| InChIKey |
JYDMOJYANAKRDD-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