General Information of the Compound
| Compound ID |
CP0495281
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| Compound Name |
US9428456, 1.098
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| Structure |
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| Formula |
C29H39N3O2
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| Molecular Weight |
461.65
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| Canonical SMILES |
CC(C)c1ccc(cc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C29H39N3O2/c1-21(2)23-11-13-24(14-12-23)28(33)31-27-10-6-7-22(19-27)20-32-17-15-25(16-18-32)29(34)30-26-8-4-3-5-9-26/h6-7,10-14,19,21,25-26H,3-5,8-9,15-18,20H2,1-2H3,(H,30,34)(H,31,33)
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| InChIKey |
FUJFOITYYCQGSX-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