General Information of the Compound
| Compound ID |
CP0439663
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| Compound Name |
2-methoxy-N-(3-(4-(3-methyl-4-(1-methylpiperidin-4-yloxy)phenylamino)quinazolin-6-yl)prop-2-ynyl)acetamide
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| Structure |
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| Formula |
C27H31N5O3
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| Molecular Weight |
473.577
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| Canonical SMILES |
COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(C)CC4)c(C)c3)c2c1
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| InChI |
InChI=1S/C27H31N5O3/c1-19-15-21(7-9-25(19)35-22-10-13-32(2)14-11-22)31-27-23-16-20(6-8-24(23)29-18-30-27)5-4-12-28-26(33)17-34-3/h6-9,15-16,18,22H,10-14,17H2,1-3H3,(H,28,33)(H,29,30,31)
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| InChIKey |
ISILMZCZQDUENR-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