General Information of the Compound
| Compound ID |
CP0215666
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| Compound Name |
N-[(2S,3R)-3-amino-1-(3,5-difluorophenyl)-4-methoxybutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide
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| Structure |
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| Formula |
C25H35F2N5O4S
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| Molecular Weight |
539.649
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| Canonical SMILES |
COC[C@H](N)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(nc(c1)N(C)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C
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| InChI |
InChI=1S/C25H35F2N5O4S/c1-15-6-18(15)13-31(2)23-10-17(11-24(30-23)32(3)37(5,34)35)25(33)29-22(21(28)14-36-4)9-16-7-19(26)12-20(27)8-16/h7-8,10-12,15,18,21-22H,6,9,13-14,28H2,1-5H3,(H,29,33)/t15-,18+,21-,22-/m0/s1
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| InChIKey |
ZNARZYKTJODECI-XSLZUNGDSA-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