General Information of the Compound
| Compound ID |
CP0524149
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| Compound Name |
N-[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide
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| Structure |
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| Formula |
C18H16FN3O2
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| Molecular Weight |
325.343
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| Canonical SMILES |
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C18H16FN3O2/c19-13-8-14(9-20)22(11-13)17(23)10-21-18(24)16-7-3-5-12-4-1-2-6-15(12)16/h1-7,13-14H,8,10-11H2,(H,21,24)/t13-,14-/m0/s1
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| InChIKey |
JIRNJLZNEMWKIK-KBPBESRZSA-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