General Information of the Compound
| Compound ID |
CP0284904
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| Compound Name |
N-[(2S)-1-(3,5-difluorophenyl)-3-hydroxypropan-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 |
C24H32F2N4O4S
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| Molecular Weight |
510.607
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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](CO)Cc1cc(F)cc(F)c1
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| InChI |
InChI=1S/C24H32F2N4O4S/c1-14(2)35(33,34)30(4)23-10-17(9-22(29-23)27-12-18-5-15(18)3)24(32)28-21(13-31)8-16-6-19(25)11-20(26)7-16/h6-7,9-11,14-15,18,21,31H,5,8,12-13H2,1-4H3,(H,27,29)(H,28,32)/t15-,18+,21-/m0/s1
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| InChIKey |
AURIBKKPUXEPLA-KLHJMIIUSA-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