General Information of the Compound
| Compound ID |
CP0440151
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| Compound Name |
6-[butyl(methyl)amino]-3-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methoxyphenyl)quinazolin-4-one
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| Structure |
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| Formula |
C28H38N4O2
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| Molecular Weight |
462.638
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| Canonical SMILES |
CCCCN(C)c1ccc2nc(-c3ccccc3OC)n(CC3CCCN(CC)C3)c(=O)c2c1
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| InChI |
InChI=1S/C28H38N4O2/c1-5-7-16-30(3)22-14-15-25-24(18-22)28(33)32(20-21-11-10-17-31(6-2)19-21)27(29-25)23-12-8-9-13-26(23)34-4/h8-9,12-15,18,21H,5-7,10-11,16-17,19-20H2,1-4H3
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| InChIKey |
MFHFVHMRADFDJS-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