General Information of the Compound
| Compound ID |
CP0541868
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| Compound Name |
N-cyclobutyl-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 |
C32H31N5O4
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| Molecular Weight |
549.631
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| Canonical SMILES |
COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(=O)NC4CCC4)c(C)c3)c2c1
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| InChI |
InChI=1S/C32H31N5O4/c1-21-16-25(12-14-29(21)41-26-10-3-7-23(18-26)32(39)37-24-8-4-9-24)36-31-27-17-22(11-13-28(27)34-20-35-31)6-5-15-33-30(38)19-40-2/h3,7,10-14,16-18,20,24H,4,8-9,15,19H2,1-2H3,(H,33,38)(H,37,39)(H,34,35,36)
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| InChIKey |
ZHZWYRTUDRRTNI-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