General Information of the Compound
| Compound ID |
CP0437715
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| Compound Name |
3-(4-{[3-(1-Azocanyl)propyl]oxy}phenyl)-2-methyl-4(3H)-quinazolinone
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| Structure |
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| Formula |
C25H31N3O2
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| Molecular Weight |
405.542
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| Canonical SMILES |
Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCCCC2)cc1
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| InChI |
InChI=1S/C25H31N3O2/c1-20-26-24-11-6-5-10-23(24)25(29)28(20)21-12-14-22(15-13-21)30-19-9-18-27-16-7-3-2-4-8-17-27/h5-6,10-15H,2-4,7-9,16-19H2,1H3
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| InChIKey |
QMOOZQNZSGJZTJ-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