General Information of the Compound
| Compound ID |
CP0276319
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| Compound Name |
N-[(2S,3R)-4-[(3-tert-butylphenyl)methylamino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C23H30F2N2O2
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| Molecular Weight |
404.501
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(c1)C(C)(C)C
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| InChI |
InChI=1S/C23H30F2N2O2/c1-15(28)27-21(11-17-9-19(24)12-20(25)10-17)22(29)14-26-13-16-6-5-7-18(8-16)23(2,3)4/h5-10,12,21-22,26,29H,11,13-14H2,1-4H3,(H,27,28)/t21-,22+/m0/s1
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| InChIKey |
GUUXSDASFBPWFQ-FCHUYYIVSA-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