General Information of the Compound
| Compound ID |
CP0578637
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| Compound Name |
9-ethyl-2-(ethylamino)- 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 |
C20H23N7O2
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| Molecular Weight |
393.451
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| Canonical SMILES |
CCNc1ncc2c(n1)N(CC)CCN(c1cccc(c1)-c1nnc(C)o1)C2=O
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| InChI |
InChI=1S/C20H23N7O2/c1-4-21-20-22-12-16-17(23-20)26(5-2)9-10-27(19(16)28)15-8-6-7-14(11-15)18-25-24-13(3)29-18/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,22,23)
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| InChIKey |
KHEAUDGDAOTKCC-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