General Information of the Compound
| Compound ID |
CP0506976
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| Compound Name |
US8933079, 4.15
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| Structure |
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| Formula |
C24H26BrN3O3
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| Molecular Weight |
484.394
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| Canonical SMILES |
CC(C)NCc1ccc(C(=O)Cn2ccc(OCc3ccc(Br)cn3)cc2=O)c(C)c1
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| InChI |
InChI=1S/C24H26BrN3O3/c1-16(2)26-12-18-4-7-22(17(3)10-18)23(29)14-28-9-8-21(11-24(28)30)31-15-20-6-5-19(25)13-27-20/h4-11,13,16,26H,12,14-15H2,1-3H3
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| InChIKey |
NPHGKBSWDJAEPK-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