General Information of the Compound
| Compound ID |
CP0470189
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| Compound Name |
US8933079, 4.21
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| Structure |
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| Formula |
C23H23BrN4O3
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| Molecular Weight |
483.366
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| Canonical SMILES |
Cc1cc(CN2CCC2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)nc1=O
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| InChI |
InChI=1S/C23H23BrN4O3/c1-16-11-17(13-27-8-2-9-27)3-6-20(16)21(29)14-28-10-7-22(26-23(28)30)31-15-19-5-4-18(24)12-25-19/h3-7,10-12H,2,8-9,13-15H2,1H3
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| InChIKey |
WRZQSKQTWUWTCU-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