General Information of the Compound
| Compound ID |
CP0419360
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| Compound Name |
US9133168, Example 21d
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| Structure |
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| Formula |
C22H26N4O4
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| Molecular Weight |
410.474
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| Canonical SMILES |
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CC2(CCOCC2)c2ccccc12
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| InChI |
InChI=1S/C22H26N4O4/c27-20-14-19(25-7-11-30-12-8-25)23-18(24-20)13-21(28)26-15-22(5-9-29-10-6-22)16-3-1-2-4-17(16)26/h1-4,14H,5-13,15H2,(H,23,24,27)
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| InChIKey |
XYFUKFPWEIDBQI-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