General Information of the Compound
| Compound ID |
CP0531821
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| Compound Name |
US8933079, 4.5
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| Structure |
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| Formula |
C26H28BrN3O4
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| Molecular Weight |
526.431
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| Canonical SMILES |
Cc1cc(CN2CCC[C@H]2CO)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O
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| InChI |
InChI=1S/C26H28BrN3O4/c1-18-11-19(14-29-9-2-3-22(29)16-31)4-7-24(18)25(32)15-30-10-8-23(12-26(30)33)34-17-21-6-5-20(27)13-28-21/h4-8,10-13,22,31H,2-3,9,14-17H2,1H3/t22-/m0/s1
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| InChIKey |
NSBRFCWUQBBDNA-QFIPXVFZSA-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