General Information of the Compound
| Compound ID |
CP0852383
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| Compound Name |
tert-butyl 2-[[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]amino]-3-phenylpropanoate
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| Structure |
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| Formula |
C25H30N2O4
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| Molecular Weight |
422.525
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| Canonical SMILES |
CC(C)(C)OC(=O)C(Cc1ccccc1)N[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O
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| InChI |
InChI=1S/C25H30N2O4/c1-24(2,3)31-23(29)19(14-16-9-7-6-8-10-16)27-21-18-13-17(15-26)11-12-20(18)30-25(4,5)22(21)28/h6-13,19,21-22,27-28H,14H2,1-5H3/t19?,21-,22+/m1/s1
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| InChIKey |
MOYJDVLMCUPZOS-WXPBMIAQSA-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