General Information of the Compound
| Compound ID |
CP0480018
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| Compound Name |
N-(3-bromophenyl)-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C18H19BrN6O
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| Molecular Weight |
415.295
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| Canonical SMILES |
Cc1c[nH]c2ncnc(N3CCN(CC3)C(=O)Nc3cccc(Br)c3)c12
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| InChI |
InChI=1S/C18H19BrN6O/c1-12-10-20-16-15(12)17(22-11-21-16)24-5-7-25(8-6-24)18(26)23-14-4-2-3-13(19)9-14/h2-4,9-11H,5-8H2,1H3,(H,23,26)(H,20,21,22)
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| InChIKey |
DCEWGZDEKYCLOP-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