General Information of the Compound
| Compound ID |
CP0086671
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| Compound Name |
4-amino-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]oxane-4-carboxamide
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| Structure |
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| Formula |
C21H23N3O2
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| Molecular Weight |
349.434
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| Canonical SMILES |
NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N
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| InChI |
InChI=1S/C21H23N3O2/c22-15-19(24-20(25)21(23)10-12-26-13-11-21)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,19H,10-14,23H2,(H,24,25)/t19-/m0/s1
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| InChIKey |
YEOQUBBPBNJOAA-IBGZPJMESA-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