General Information of the Compound
| Compound ID |
CP0963413
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-[({4-(phenylmethyl)sulfonyl]morpholin-2-yl}methyl)oxy]quinazolin-4-amine
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| Structure |
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| Formula |
C27H26Cl2N4O5S
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| Molecular Weight |
589.501
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(S(=O)(=O)Cc2ccccc2)CCO1
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| InChI |
InChI=1S/C27H26Cl2N4O5S/c1-36-25-12-21-24(30-17-31-27(21)32-19-7-8-22(28)23(29)11-19)13-26(25)38-15-20-14-33(9-10-37-20)39(34,35)16-18-5-3-2-4-6-18/h2-8,11-13,17,20H,9-10,14-16H2,1H3,(H,30,31,32)
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| InChIKey |
WTOQAKRNPRFBML-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