General Information of the Compound
| Compound ID |
CP0550213
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| Compound Name |
US9029360, 17
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| Structure |
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| Formula |
C20H18BrN5O
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| Molecular Weight |
424.302
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| Canonical SMILES |
Cn1c2CCN(CCc2c2ccccc12)C(=O)c1cc2ncc(Br)cn2n1
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| InChI |
InChI=1S/C20H18BrN5O/c1-24-17-5-3-2-4-14(17)15-6-8-25(9-7-18(15)24)20(27)16-10-19-22-11-13(21)12-26(19)23-16/h2-5,10-12H,6-9H2,1H3
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| InChIKey |
BNGHHQQJYFBBEC-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