General Information of the Compound
| Compound ID |
CP0258286
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| Compound Name |
N-[4-(3-methylanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C25H29N5O3
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| Molecular Weight |
447.539
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| Canonical SMILES |
Cc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)c1
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| InChI |
InChI=1S/C25H29N5O3/c1-3-24(31)29-22-15-20-21(16-23(22)33-11-5-8-30-9-12-32-13-10-30)26-17-27-25(20)28-19-7-4-6-18(2)14-19/h3-4,6-7,14-17H,1,5,8-13H2,2H3,(H,29,31)(H,26,27,28)
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| InChIKey |
INXWPZVQQRCXEC-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