General Information of the Compound
| Compound ID |
CP0910377
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| Compound Name |
tert-butyl (2R)-2-[[(3R,4S)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]amino]-3-methylbutanoate
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| Structure |
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| Formula |
C20H31NO4
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| Molecular Weight |
349.471
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| Canonical SMILES |
CC(C)[C@@H](N[C@H]1c2ccccc2OC(C)(C)[C@@H]1O)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C20H31NO4/c1-12(2)15(18(23)25-19(3,4)5)21-16-13-10-8-9-11-14(13)24-20(6,7)17(16)22/h8-12,15-17,21-22H,1-7H3/t15-,16+,17-/m1/s1
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| InChIKey |
VGLJCHLBLTZFKA-IXDOHACOSA-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