General Information of the Compound
| Compound ID |
CP0904155
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| Compound Name |
2-(1-(Difluoromethyl)-1H-pyrazol-4-yl)-N-(4-((6,7-dimethoxyquinazolin-4-yl)oxy)phenyl)acetamide
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| Structure |
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| Formula |
C22H19F2N5O4
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| Molecular Weight |
455.421
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| Canonical SMILES |
COc1cc2ncnc(Oc3ccc(NC(=O)Cc4cnn(C(F)F)c4)cc3)c2cc1OC
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| InChI |
InChI=1S/C22H19F2N5O4/c1-31-18-8-16-17(9-19(18)32-2)25-12-26-21(16)33-15-5-3-14(4-6-15)28-20(30)7-13-10-27-29(11-13)22(23)24/h3-6,8-12,22H,7H2,1-2H3,(H,28,30)
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| InChIKey |
COCOADXKVYPFJQ-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