General Information of the Compound
| Compound ID |
CP0483275
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| Compound Name |
US8933079, 8.2
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| Structure |
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| Formula |
C23H23BrN4O4
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| Molecular Weight |
499.365
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| Canonical SMILES |
Cc1cc(CN2CC(O)C2)ccc1C(=O)Cn1ncc(OCc2ccc(Br)cn2)cc1=O
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| InChI |
InChI=1S/C23H23BrN4O4/c1-15-6-16(10-27-11-19(29)12-27)2-5-21(15)22(30)13-28-23(31)7-20(9-26-28)32-14-18-4-3-17(24)8-25-18/h2-9,19,29H,10-14H2,1H3
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| InChIKey |
UPZCOOVXXVJOBX-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