General Information of the Compound
| Compound ID |
CP0529791
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| Compound Name |
N-tert-butyl-3-[4-[[6-[3-[(2-methoxyacetyl)amino]prop-1-ynyl]quinazolin-4-yl]amino]-2-methylphenoxy]benzamide
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| Structure |
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| Formula |
C32H33N5O4
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| Molecular Weight |
551.647
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| Canonical SMILES |
COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(=O)NC(C)(C)C)c(C)c3)c2c1
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| InChI |
InChI=1S/C32H33N5O4/c1-21-16-24(12-14-28(21)41-25-10-6-9-23(18-25)31(39)37-32(2,3)4)36-30-26-17-22(11-13-27(26)34-20-35-30)8-7-15-33-29(38)19-40-5/h6,9-14,16-18,20H,15,19H2,1-5H3,(H,33,38)(H,37,39)(H,34,35,36)
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| InChIKey |
LDTIBFBFKXJPSC-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