General Information of the Compound
| Compound ID |
CP0468476
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| Compound Name |
3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(piperazin-1-ylmethyl)quinazolin-4-one
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| Structure |
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| Formula |
C21H21F3N4O2
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| Molecular Weight |
418.419
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| Canonical SMILES |
COc1ccc(cc1-n1c(CN2CCNCC2)nc2ccccc2c1=O)C(F)(F)F
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| InChI |
InChI=1S/C21H21F3N4O2/c1-30-18-7-6-14(21(22,23)24)12-17(18)28-19(13-27-10-8-25-9-11-27)26-16-5-3-2-4-15(16)20(28)29/h2-7,12,25H,8-11,13H2,1H3
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| InChIKey |
MRNMAAQHIHYDLT-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