General Information of the Compound
| Compound ID |
CP0550528
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| Compound Name |
US8933079, 8.11
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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@H]2CO)ccc1C(=O)Cn1ncc(OCc2ccc(Br)cn2)cc1=O
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| InChI |
InChI=1S/C25H27BrN4O4/c1-17-9-18(13-29-8-2-3-21(29)15-31)4-7-23(17)24(32)14-30-25(33)10-22(12-28-30)34-16-20-6-5-19(26)11-27-20/h4-7,9-12,21,31H,2-3,8,13-16H2,1H3/t21-/m0/s1
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| InChIKey |
OUZNKFDAVPGINF-NRFANRHFSA-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