General Information of the Compound
| Compound ID |
CP0102830
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| Compound Name |
3-methyl-2-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)quinazolin-4(3H)-one
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| Structure |
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| Formula |
C22H25N3O2
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| Molecular Weight |
363.461
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| Canonical SMILES |
Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCC2)cc1
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| InChI |
InChI=1S/C22H25N3O2/c1-24-21(23-20-8-3-2-7-19(20)22(24)26)17-9-11-18(12-10-17)27-16-6-15-25-13-4-5-14-25/h2-3,7-12H,4-6,13-16H2,1H3
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| InChIKey |
PRPSMPHMELIHFQ-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT03665, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2