General Information of the Compound
| Compound ID |
CP0569253
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| Compound Name |
US9133168, Example 33d
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| Structure |
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| Formula |
C22H27N5O4
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| Molecular Weight |
425.489
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| Canonical SMILES |
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2N1CCOCC1
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| InChI |
InChI=1S/C22H27N5O4/c28-21-15-20(26-8-12-31-13-9-26)23-19(24-21)14-22(29)27-5-4-16-17(2-1-3-18(16)27)25-6-10-30-11-7-25/h1-3,15H,4-14H2,(H,23,24,28)
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| InChIKey |
JTAHRQMIAGIGNX-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