General Information of the Compound
| Compound ID |
CP0915101
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| Compound Name |
tert-butyl 2-[benzyl-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]amino]acetate
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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)CN(Cc1ccccc1)[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O
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| InChI |
InChI=1S/C25H30N2O4/c1-24(2,3)31-21(28)16-27(15-17-9-7-6-8-10-17)22-19-13-18(14-26)11-12-20(19)30-25(4,5)23(22)29/h6-13,22-23,29H,15-16H2,1-5H3/t22-,23+/m0/s1
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| InChIKey |
GVVBCFURURYWHN-XZOQPEGZSA-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