General Information of the Compound
| Compound ID |
CP0189277
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| Compound Name |
2-(ethylamino)-9- methyl-6-(3-(5-methyl- 1,3,4-oxadiazol-2- yl)phenyl)-6,7,8,9- tetrahydro-5H- pyrimido[4,5- e][1,4]diazepin-5-one
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| Structure |
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| Formula |
C19H21N7O2
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| Molecular Weight |
379.424
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| Canonical SMILES |
CCNc1ncc2c(n1)N(C)CCN(c1cccc(c1)-c1nnc(C)o1)C2=O
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| InChI |
InChI=1S/C19H21N7O2/c1-4-20-19-21-11-15-16(22-19)25(3)8-9-26(18(15)27)14-7-5-6-13(10-14)17-24-23-12(2)28-17/h5-7,10-11H,4,8-9H2,1-3H3,(H,20,21,22)
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| InChIKey |
UUKNXPMVCQJCPY-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