General Information of the Compound
| Compound ID |
CP0577385
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| Compound Name |
(E)-1-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7,8-dihydropyrimido[5,4-g][1,4]benzoxazin-6-yl]-4-imidazol-1-ylbut-2-en-1-one
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| Structure |
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| Formula |
C30H24ClFN6O3
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| Molecular Weight |
571.012
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| Canonical SMILES |
Fc1cccc(COc2ccc(Nc3ncnc4cc5OCCN(C(=O)\C=C\Cn6ccnc6)c5cc34)cc2Cl)c1
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| InChI |
InChI=1S/C30H24ClFN6O3/c31-24-14-22(6-7-27(24)41-17-20-3-1-4-21(32)13-20)36-30-23-15-26-28(16-25(23)34-18-35-30)40-12-11-38(26)29(39)5-2-9-37-10-8-33-19-37/h1-8,10,13-16,18-19H,9,11-12,17H2,(H,34,35,36)/b5-2+
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| InChIKey |
QNTIYLZUSHSUDA-GORDUTHDSA-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