General Information of the Compound
| Compound ID |
CP0562819
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| Compound Name |
8-[[4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-yl]amino]-5,5-dimethyl-1H-4,1-benzoxazepin-2-one
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| Structure |
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| Formula |
C20H21N5O3
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| Molecular Weight |
379.42
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| Canonical SMILES |
CC1(C)OCC(=O)Nc2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12
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| InChI |
InChI=1S/C20H21N5O3/c1-20(2)13-6-5-12(9-15(13)23-16(26)10-28-20)22-19-24-14-7-8-27-17(14)18(25-19)21-11-3-4-11/h5-9,11H,3-4,10H2,1-2H3,(H,23,26)(H2,21,22,24,25)
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| InChIKey |
SEDOMWDHQGAUNV-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