General Information of the Compound
| Compound ID |
CP0961578
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| Compound Name |
(1S,4S)-4-(3-Chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl 5-Methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
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| Structure |
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| Formula |
C22H21ClFN5O3
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| Molecular Weight |
457.893
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| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1C[C@@H]2C[C@H]1CN2C
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| InChI |
InChI=1S/C22H21ClFN5O3/c1-28-9-13-6-12(28)10-29(13)22(30)32-19-7-14-17(8-18(19)31-2)25-11-26-21(14)27-16-5-3-4-15(23)20(16)24/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,25,26,27)/t12-,13-/m0/s1
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| InChIKey |
DKZMYLYIWSBPPC-STQMWFEESA-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