General Information of the Compound
| Compound ID |
CP0435698
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| Compound Name |
2-amino-2-methyl-N-[(1S)-1-[1-[4-oxo-4-(2,2,2-trifluoroethylamino)butyl]tetrazol-5-yl]-2-phenylmethoxyethyl]propanamide
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| Structure |
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| Formula |
C20H28F3N7O3
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| Molecular Weight |
471.484
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCC(F)(F)F
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| InChI |
InChI=1S/C20H28F3N7O3/c1-19(2,24)18(32)26-15(12-33-11-14-7-4-3-5-8-14)17-27-28-29-30(17)10-6-9-16(31)25-13-20(21,22)23/h3-5,7-8,15H,6,9-13,24H2,1-2H3,(H,25,31)(H,26,32)/t15-/m1/s1
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| InChIKey |
WYCWAJRDKXVBKT-OAHLLOKOSA-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