General Information of the Compound
| Compound ID |
CP0100295
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| Compound Name |
N-(5-chloro-2-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
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| Structure |
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| Formula |
C22H24ClFN4O3
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| Molecular Weight |
446.91
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| Canonical SMILES |
COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OCCCN1CCOCC1
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| InChI |
InChI=1S/C22H24ClFN4O3/c1-29-20-13-18-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-18)27-19-11-15(23)3-4-17(19)24/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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| InChIKey |
DUCBKFANLUPMGX-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