General Information of the Compound
| Compound ID |
CP0948665
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| Compound Name |
4-(3-Chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl 4-Methylpiperazine-1-carboxylate
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| Structure |
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| Formula |
C21H21ClFN5O3
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| Molecular Weight |
445.882
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| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)CC1
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| InChI |
InChI=1S/C21H21ClFN5O3/c1-27-6-8-28(9-7-27)21(29)31-18-10-13-16(11-17(18)30-2)24-12-25-20(13)26-15-5-3-4-14(22)19(15)23/h3-5,10-12H,6-9H2,1-2H3,(H,24,25,26)
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| InChIKey |
QSKKYTJTKOLUML-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