General Information of the Compound
| Compound ID |
CP0238206
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| Compound Name |
5,5-dimethyl-8-[[4-(propylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-4,1-benzoxazepin-2-one
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| Structure |
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| Formula |
C20H23N5O3
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| Molecular Weight |
381.436
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| Canonical SMILES |
CCCNc1nc(Nc2ccc3c(NC(=O)COC3(C)C)c2)nc2ccoc12
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| InChI |
InChI=1S/C20H23N5O3/c1-4-8-21-18-17-14(7-9-27-17)24-19(25-18)22-12-5-6-13-15(10-12)23-16(26)11-28-20(13,2)3/h5-7,9-10H,4,8,11H2,1-3H3,(H,23,26)(H2,21,22,24,25)
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| InChIKey |
OKSGKOXMFAYXPQ-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