General Information of the Compound
| Compound ID |
CP0125963
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| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C18H17N3O2
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| Molecular Weight |
307.353
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| Canonical SMILES |
O=C(CNC(=O)c1ccc2ccccc2c1)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C18H17N3O2/c19-11-16-6-3-9-21(16)17(22)12-20-18(23)15-8-7-13-4-1-2-5-14(13)10-15/h1-2,4-5,7-8,10,16H,3,6,9,12H2,(H,20,23)/t16-/m0/s1
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| InChIKey |
INDDLILZWSZTPZ-INIZCTEOSA-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