General Information of the Compound
| Compound ID |
CP0077571
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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-morpholin-4-ylbut-2-en-1-one
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| Structure |
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| Formula |
C31H29ClFN5O4
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| Molecular Weight |
590.055
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| Canonical SMILES |
Fc1cccc(COc2ccc(Nc3ncnc4cc5OCCN(C(=O)\C=C\CN6CCOCC6)c5cc34)cc2Cl)c1
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| InChI |
InChI=1S/C31H29ClFN5O4/c32-25-16-23(6-7-28(25)42-19-21-3-1-4-22(33)15-21)36-31-24-17-27-29(18-26(24)34-20-35-31)41-14-11-38(27)30(39)5-2-8-37-9-12-40-13-10-37/h1-7,15-18,20H,8-14,19H2,(H,34,35,36)/b5-2+
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| InChIKey |
LSCYWBZWOOITKQ-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