General Information of the Compound
| Compound ID |
CP0503146
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| Compound Name |
3-[2-(2-methylpropoxy)phenyl]-2-(piperazin-1-ylmethyl)quinazolin-4-one
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| Structure |
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| Formula |
C23H28N4O2
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| Molecular Weight |
392.503
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| Canonical SMILES |
CC(C)COc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O
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| InChI |
InChI=1S/C23H28N4O2/c1-17(2)16-29-21-10-6-5-9-20(21)27-22(15-26-13-11-24-12-14-26)25-19-8-4-3-7-18(19)23(27)28/h3-10,17,24H,11-16H2,1-2H3
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| InChIKey |
DDZYBRMWOKGCHN-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