General Information of the Compound
| Compound ID |
CP0168665
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| Compound Name |
N-[(2S)-1-amino-3-(3,5-difluorophenyl)propan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide
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| Structure |
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| Formula |
C22H29F2N5O3S
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| Molecular Weight |
481.569
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| Canonical SMILES |
CC1CC1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@H](CN)Cc1cc(F)cc(F)c1
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| InChI |
InChI=1S/C22H29F2N5O3S/c1-13-4-16(13)12-26-20-8-15(9-21(28-20)29(2)33(3,31)32)22(30)27-19(11-25)7-14-5-17(23)10-18(24)6-14/h5-6,8-10,13,16,19H,4,7,11-12,25H2,1-3H3,(H,26,28)(H,27,30)/t13?,16?,19-/m0/s1
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| InChIKey |
SGGMSEUTLOBCFL-ZVYVSMAVSA-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