General Information of the Compound
| Compound ID |
CP0902340
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| Compound Name |
tert-butyl (2S)-2-[[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]amino]propanoate
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| Structure |
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| Formula |
C19H26N2O4
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| Molecular Weight |
346.427
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| Canonical SMILES |
C[C@H](N[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C19H26N2O4/c1-11(17(23)25-18(2,3)4)21-15-13-9-12(10-20)7-8-14(13)24-19(5,6)16(15)22/h7-9,11,15-16,21-22H,1-6H3/t11-,15-,16+/m0/s1
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| InChIKey |
HTQRBOPBRPMVKW-KNXALSJPSA-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