General Information of the Compound
| Compound ID |
CP0483273
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| Compound Name |
US8933079, 4.8
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| Structure |
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| Formula |
C25H26BrN3O3
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| Molecular Weight |
496.405
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| Canonical SMILES |
Cc1cc(CN2CCCC2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O
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| InChI |
InChI=1S/C25H26BrN3O3/c1-18-12-19(15-28-9-2-3-10-28)4-7-23(18)24(30)16-29-11-8-22(13-25(29)31)32-17-21-6-5-20(26)14-27-21/h4-8,11-14H,2-3,9-10,15-17H2,1H3
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| InChIKey |
KEHYIFAEEMHXNM-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