General Information of the Compound
| Compound ID |
CP0442810
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| Compound Name |
N-[7-methoxy-4-[4-(pyridin-4-ylmethyl)anilino]quinazolin-6-yl]propanamide
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| Structure |
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| Formula |
C24H23N5O2
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| Molecular Weight |
413.481
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| Canonical SMILES |
CCC(=O)Nc1cc2c(Nc3ccc(Cc4ccncc4)cc3)ncnc2cc1OC
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| InChI |
InChI=1S/C24H23N5O2/c1-3-23(30)29-21-13-19-20(14-22(21)31-2)26-15-27-24(19)28-18-6-4-16(5-7-18)12-17-8-10-25-11-9-17/h4-11,13-15H,3,12H2,1-2H3,(H,29,30)(H,26,27,28)
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| InChIKey |
MWFCPZVRFPHQKV-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