General Information of the Compound
| Compound ID |
CP0541846
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| Compound Name |
US9029360, 2
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| Structure |
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| Formula |
C17H16BrN5O2
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| Molecular Weight |
402.252
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| Canonical SMILES |
COc1ccc2CCN(CCc2n1)C(=O)c1cc2ncc(Br)cn2n1
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| InChI |
InChI=1S/C17H16BrN5O2/c1-25-16-3-2-11-4-6-22(7-5-13(11)20-16)17(24)14-8-15-19-9-12(18)10-23(15)21-14/h2-3,8-10H,4-7H2,1H3
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| InChIKey |
OSJCMUZODXPDSL-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