General Information of the Compound
| Compound ID |
CP0316465
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| Compound Name |
N-[(2S,3R)-3-amino-1-(3,5-difluorophenyl)-4-fluorobutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide
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| Structure |
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| Formula |
C26H36F3N5O3S
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| Molecular Weight |
555.667
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| Canonical SMILES |
CC(C)S(=O)(=O)N(C)c1cc(cc(n1)N(C)C[C@H]1C[C@@H]1C)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](N)CF
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| InChI |
InChI=1S/C26H36F3N5O3S/c1-15(2)38(36,37)34(5)25-11-18(10-24(32-25)33(4)14-19-6-16(19)3)26(35)31-23(22(30)13-27)9-17-7-20(28)12-21(29)8-17/h7-8,10-12,15-16,19,22-23H,6,9,13-14,30H2,1-5H3,(H,31,35)/t16-,19+,22-,23-/m0/s1
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| InChIKey |
SPKBGXFBJNXHQG-IHJXWSBQSA-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