General Information of the Compound
| Compound ID |
CP0555753
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| Compound Name |
5-[2-({[4-[(3,4-dichlorophenyl)amino]-6- (methyloxy)quinazolin-7-yl]oxy}methyl)-1,3- thiazol-4-yl]-2-hydroxybenzamide
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| Structure |
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| Formula |
C26H19Cl2N5O4S
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| Molecular Weight |
568.442
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(cs1)-c1ccc(O)c(c1)C(N)=O
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| InChI |
InChI=1S/C26H19Cl2N5O4S/c1-36-22-8-15-19(30-12-31-26(15)32-14-3-4-17(27)18(28)7-14)9-23(22)37-10-24-33-20(11-38-24)13-2-5-21(34)16(6-13)25(29)35/h2-9,11-12,34H,10H2,1H3,(H2,29,35)(H,30,31,32)
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| InChIKey |
VATKWVNDCITFEB-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