General Information of the Compound
| Compound ID |
CP0567063
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| Compound Name |
US9133168, Example 1d
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| Structure |
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| Formula |
C20H22N4O3
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| Molecular Weight |
366.421
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| Canonical SMILES |
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CC2(CC2)c2ccccc12
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| InChI |
InChI=1S/C20H22N4O3/c25-18-12-17(23-7-9-27-10-8-23)21-16(22-18)11-19(26)24-13-20(5-6-20)14-3-1-2-4-15(14)24/h1-4,12H,5-11,13H2,(H,21,22,25)
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| InChIKey |
BTKKRQLYGYIZKV-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