General Information of the Compound
| Compound ID |
CP0418615
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| Compound Name |
N-(3-bromophenyl)-3-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
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| Structure |
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| Formula |
C20H21BrN6O
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| Molecular Weight |
441.333
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| Canonical SMILES |
Cc1c[nH]c2ncnc(N3CC4CCC(C3)N4C(=O)Nc3cccc(Br)c3)c12
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| InChI |
InChI=1S/C20H21BrN6O/c1-12-8-22-18-17(12)19(24-11-23-18)26-9-15-5-6-16(10-26)27(15)20(28)25-14-4-2-3-13(21)7-14/h2-4,7-8,11,15-16H,5-6,9-10H2,1H3,(H,25,28)(H,22,23,24)
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| InChIKey |
ZYOHQBDYDFWQRU-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