General Information of the Compound
| Compound ID |
CP0523186
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| Compound Name |
MLS000733239
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| Structure |
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| Formula |
C26H29N3O2
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| Molecular Weight |
415.537
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| Canonical SMILES |
CC(NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)c1ccccc1
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| InChI |
InChI=1S/C26H29N3O2/c1-20(21-7-3-2-4-8-21)28-26(30)22-10-12-24(13-11-22)31-25-14-17-29(18-15-25)19-23-9-5-6-16-27-23/h2-13,16,20,25H,14-15,17-19H2,1H3,(H,28,30)
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| InChIKey |
UVONKHXLLMIBGD-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