General Information of the Compound
| Compound ID |
CP0453807
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| Compound Name |
2-(2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-isopropylpiperidin-4-yloxy)-1H-indol-1-yl)acetonitrile
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| Structure |
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| Formula |
C24H30F2N4O2
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| Molecular Weight |
444.526
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| Canonical SMILES |
CC(C)N1CCC(CC1)Oc1ccc2n(CC#N)c(cc2c1)C(=O)N1CCC(F)(F)CC1
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| InChI |
InChI=1S/C24H30F2N4O2/c1-17(2)28-10-5-19(6-11-28)32-20-3-4-21-18(15-20)16-22(30(21)14-9-27)23(31)29-12-7-24(25,26)8-13-29/h3-4,15-17,19H,5-8,10-14H2,1-2H3
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| InChIKey |
YNWCMSVQZYRISW-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: PT01173, Histamine H3 receptor