General Information of the Compound
| Compound ID |
CP0554092
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| Compound Name |
US9428456, 1.032
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| Structure |
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| Formula |
C30H41N3O2
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| Molecular Weight |
475.677
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C30H41N3O2/c1-30(2,3)25-14-12-23(13-15-25)28(34)32-27-11-7-8-22(20-27)21-33-18-16-24(17-19-33)29(35)31-26-9-5-4-6-10-26/h7-8,11-15,20,24,26H,4-6,9-10,16-19,21H2,1-3H3,(H,31,35)(H,32,34)
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| InChIKey |
BQDTVUPBSBGUGJ-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