General Information of the Compound
| Compound ID |
CP0241083
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| Compound Name |
4-amino-N-[(1S)-1-cyano-2-[4-(3-methylsulfonylphenyl)phenyl]ethyl]oxane-4-carboxamide
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| Structure |
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| Formula |
C22H25N3O4S
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| Molecular Weight |
427.526
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| Canonical SMILES |
CS(=O)(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)C2(N)CCOCC2)C#N)cc1
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| InChI |
InChI=1S/C22H25N3O4S/c1-30(27,28)20-4-2-3-18(14-20)17-7-5-16(6-8-17)13-19(15-23)25-21(26)22(24)9-11-29-12-10-22/h2-8,14,19H,9-13,24H2,1H3,(H,25,26)/t19-/m0/s1
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| InChIKey |
VUCFAFRVHRIURK-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