General Information of the Compound
| Compound ID |
CP0162659
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| Compound Name |
N-[(2S,3R)-3-amino-4-fluoro-1-phenylbutan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methylamino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide
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| Structure |
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| Formula |
C25H36FN5O3S
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| Molecular Weight |
505.66
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| Canonical SMILES |
CC(C)S(=O)(=O)N(C)c1cc(cc(NC[C@H]2C[C@@H]2C)n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CF
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| InChI |
InChI=1S/C25H36FN5O3S/c1-16(2)35(33,34)31(4)24-13-19(12-23(30-24)28-15-20-10-17(20)3)25(32)29-22(21(27)14-26)11-18-8-6-5-7-9-18/h5-9,12-13,16-17,20-22H,10-11,14-15,27H2,1-4H3,(H,28,30)(H,29,32)/t17-,20+,21-,22-/m0/s1
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| InChIKey |
SIBWATARUGFMIW-XGARDCMYSA-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