General Information of the Compound
| Compound ID |
CP0458761
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| Compound Name |
N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]cyclopentene-1-carboxamide
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| Structure |
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| Formula |
C27H29ClFN5O3
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| Molecular Weight |
526.012
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| Canonical SMILES |
Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C4=CCCC4)cc23)cc1Cl
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| InChI |
InChI=1S/C27H29ClFN5O3/c28-21-14-19(6-7-22(21)29)32-26-20-15-24(33-27(35)18-4-1-2-5-18)25(16-23(20)30-17-31-26)37-11-3-8-34-9-12-36-13-10-34/h4,6-7,14-17H,1-3,5,8-13H2,(H,33,35)(H,30,31,32)
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| InChIKey |
DNJMPXSEZNNGGL-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