General Information of the Compound
| Compound ID |
CP0554682
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| Compound Name |
US9428456, 2.033
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| Structure |
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| Formula |
C29H30ClN3O2
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| Molecular Weight |
488.031
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2Cc3ccccc3C2)c1
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| InChI |
InChI=1S/C29H30ClN3O2/c30-25-10-8-21(9-11-25)28(34)31-26-7-3-4-20(16-26)19-33-14-12-22(13-15-33)29(35)32-27-17-23-5-1-2-6-24(23)18-27/h1-11,16,22,27H,12-15,17-19H2,(H,31,34)(H,32,35)
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| InChIKey |
OQPJXLVHWKNSBE-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