General Information of the Compound
| Compound ID |
CP0010562
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| Compound Name |
US9745291, Compound 30
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| Structure |
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| Formula |
C22H26N4O3
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| Molecular Weight |
394.475
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| Canonical SMILES |
Cn1cnc2ccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cc12
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| InChI |
InChI=1S/C22H26N4O3/c1-25-15-24-20-7-6-19(10-21(20)25)29-14-22(28)23-11-18(27)13-26-9-8-16-4-2-3-5-17(16)12-26/h2-7,10,15,18,27H,8-9,11-14H2,1H3,(H,23,28)
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| InChIKey |
XLXRSVPVHLUVKY-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