General Information of the Compound
| Compound ID |
CP0081212
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| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-hydroxyquinoline-4-carboxamide
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| Structure |
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| Formula |
C17H16N4O3
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| Molecular Weight |
324.34
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| Canonical SMILES |
Oc1cnc2ccccc2c1C(=O)NCC(=O)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C17H16N4O3/c18-8-11-4-3-7-21(11)15(23)10-20-17(24)16-12-5-1-2-6-13(12)19-9-14(16)22/h1-2,5-6,9,11,22H,3-4,7,10H2,(H,20,24)/t11-/m0/s1
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| InChIKey |
SFRHBBXTBPBKRA-NSHDSACASA-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