General Information of the Compound
| Compound ID |
CP0092894
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| Compound Name |
methyl N-[2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
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| Structure |
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| Formula |
C18H17ClN4O4
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| Molecular Weight |
388.811
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| Canonical SMILES |
COC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1Cl
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| InChI |
InChI=1S/C18H17ClN4O4/c1-25-15-7-11-14(8-16(15)26-2)20-9-21-17(11)22-10-4-5-13(12(19)6-10)23-18(24)27-3/h4-9H,1-3H3,(H,23,24)(H,20,21,22)
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| InChIKey |
TYIAEQRPJACAIN-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