General Information of the Compound
| Compound ID |
CP0499451
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| Compound Name |
6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one
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| Structure |
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| Formula |
C26H34N4O2
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| Molecular Weight |
434.584
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| Canonical SMILES |
CCCCN(C)c1ccc2nc(-c3ccccc3OC)n(CC3CCCNC3)c(=O)c2c1
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| InChI |
InChI=1S/C26H34N4O2/c1-4-5-15-29(2)20-12-13-23-22(16-20)26(31)30(18-19-9-8-14-27-17-19)25(28-23)21-10-6-7-11-24(21)32-3/h6-7,10-13,16,19,27H,4-5,8-9,14-15,17-18H2,1-3H3
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| InChIKey |
QTMCHHWITGOFQV-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