General Information of the Compound
| Compound ID |
CP0109424
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| Compound Name |
(R)-1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)-N,N-dimethylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C23H25ClFN5O2
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| Molecular Weight |
457.937
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| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@@H]1C(=O)N(C)C
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| InChI |
InChI=1S/C23H25ClFN5O2/c1-29(2)23(31)19-8-5-9-30(19)12-14-10-15-18(11-20(14)32-3)26-13-27-22(15)28-17-7-4-6-16(24)21(17)25/h4,6-7,10-11,13,19H,5,8-9,12H2,1-3H3,(H,26,27,28)/t19-/m1/s1
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| InChIKey |
ZZBAYSXOXCZQAE-LJQANCHMSA-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