General Information of the Compound
| Compound ID |
CP0450248
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| Compound Name |
US8933079, 8.5
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| Structure |
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| Formula |
C25H27BrN4O4
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| Molecular Weight |
527.419
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| Canonical SMILES |
Cc1cc(CN2CCC(C)(O)C2)ccc1C(=O)Cn1ncc(OCc2ccc(Br)cn2)cc1=O
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| InChI |
InChI=1S/C25H27BrN4O4/c1-17-9-18(13-29-8-7-25(2,33)16-29)3-6-22(17)23(31)14-30-24(32)10-21(12-28-30)34-15-20-5-4-19(26)11-27-20/h3-6,9-12,33H,7-8,13-16H2,1-2H3
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| InChIKey |
WCJMNHMPTCQAEU-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