General Information of the Compound
| Compound ID |
CP0105614
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| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-methoxybenzenesulfonamide
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| Structure |
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| Formula |
C14H17N3O4S
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| Molecular Weight |
323.374
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| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)NCC(=O)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C14H17N3O4S/c1-21-12-5-2-6-13(8-12)22(19,20)16-10-14(18)17-7-3-4-11(17)9-15/h2,5-6,8,11,16H,3-4,7,10H2,1H3/t11-/m0/s1
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| InChIKey |
DTKPPUMQPVCMBK-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