General Information of the Compound
| Compound ID |
CP0380163
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| Compound Name |
1-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-(4-phenoxyphenyl)urea
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| Structure |
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| Formula |
C28H32N4O2
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| Molecular Weight |
456.59
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| Canonical SMILES |
CC1CCCN1C1CCN(C1)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C28H32N4O2/c1-21-6-5-18-32(21)25-17-19-31(20-25)24-13-9-22(10-14-24)29-28(33)30-23-11-15-27(16-12-23)34-26-7-3-2-4-8-26/h2-4,7-16,21,25H,5-6,17-20H2,1H3,(H2,29,30,33)
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| InChIKey |
FHQXJBWKUFXPSH-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: PT00577, Histamine receptor H3