General Information of the Compound
| Compound ID |
CP0866601
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| Compound Name |
tert-butyl (2S)-2-[[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-methylamino]propanoate
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| Structure |
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| Formula |
C20H28N2O4
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| Molecular Weight |
360.454
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| Canonical SMILES |
C[C@@H](C(=O)OC(C)(C)C)N(C)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O
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| InChI |
InChI=1S/C20H28N2O4/c1-12(18(24)26-19(2,3)4)22(7)16-14-10-13(11-21)8-9-15(14)25-20(5,6)17(16)23/h8-10,12,16-17,23H,1-7H3/t12-,16+,17-/m0/s1
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| InChIKey |
PABNSZZPMRVNJZ-VUCTXSBTSA-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