General Information of the Compound
| Compound ID |
CP0081210
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| Compound Name |
7-bromo-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
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| Structure |
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| Formula |
C17H15BrN4O2
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| Molecular Weight |
387.237
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| Canonical SMILES |
Brc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C17H15BrN4O2/c18-11-3-4-13-14(5-6-20-15(13)8-11)17(24)21-10-16(23)22-7-1-2-12(22)9-19/h3-6,8,12H,1-2,7,10H2,(H,21,24)/t12-/m0/s1
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| InChIKey |
INQYLMGAPQGWDT-LBPRGKRZSA-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