General Information of the Compound
| Compound ID |
CP0549071
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| Compound Name |
1-[4-(4-bromopyrazol-1-yl)pyridin-3-yl]-N,N-dimethylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C16H20BrN5O
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| Molecular Weight |
378.274
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| Canonical SMILES |
CN(C)C(=O)C1CCN(CC1)c1cnccc1-n1cc(Br)cn1
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| InChI |
InChI=1S/C16H20BrN5O/c1-20(2)16(23)12-4-7-21(8-5-12)15-10-18-6-3-14(15)22-11-13(17)9-19-22/h3,6,9-12H,4-5,7-8H2,1-2H3
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| InChIKey |
AOSOCHGBCVQORG-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