General Information of the Compound
| Compound ID |
CP0259432
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| Compound Name |
N-[2-[(2S)-2-cyano-4-ethylpyrrolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide
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| Structure |
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| Formula |
C20H21N3O2
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| Molecular Weight |
335.407
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| Canonical SMILES |
CCC1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C20H21N3O2/c1-2-14-10-16(11-21)23(13-14)19(24)12-22-20(25)18-9-5-7-15-6-3-4-8-17(15)18/h3-9,14,16H,2,10,12-13H2,1H3,(H,22,25)/t14?,16-/m0/s1
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| InChIKey |
FCBMNMZZMXCXAF-WMCAAGNKSA-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