General Information of the Compound
| Compound ID |
CP0001795
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| Compound Name |
2,2-difluoro-6-[5-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3H-1,4-benzoxazine-4-carbonitrile
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| Structure |
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| Formula |
C18H15F2N5O2
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| Molecular Weight |
371.347
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| Canonical SMILES |
COCCc1c[nH]c2ncnc(-c3ccc4OC(F)(F)CN(C#N)c4c3)c12
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| InChI |
InChI=1S/C18H15F2N5O2/c1-26-5-4-12-7-22-17-15(12)16(23-10-24-17)11-2-3-14-13(6-11)25(9-21)8-18(19,20)27-14/h2-3,6-7,10H,4-5,8H2,1H3,(H,22,23,24)
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| InChIKey |
GSUPTQSWBIANCU-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