General Information of the Compound
| Compound ID |
CP0544400
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| Compound Name |
US9428456, 1.080
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| Structure |
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| Formula |
C25H32N4O3
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| Molecular Weight |
436.556
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| Canonical SMILES |
[O-][n+]1ccccc1C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C25H32N4O3/c30-24(26-21-8-2-1-3-9-21)20-12-15-28(16-13-20)18-19-7-6-10-22(17-19)27-25(31)23-11-4-5-14-29(23)32/h4-7,10-11,14,17,20-21H,1-3,8-9,12-13,15-16,18H2,(H,26,30)(H,27,31)
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| InChIKey |
JONMPWQOSSKVPG-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