General Information of the Compound
| Compound ID |
CP0111104
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| Compound Name |
(2S)-2-amino-N-[5-[6-chloro-5-[(3-methylphenyl)sulfonylamino]pyridin-3-yl]-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide
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| Structure |
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| Formula |
C21H24ClN5O3S2
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| Molecular Weight |
494.042
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| Canonical SMILES |
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(C)c2)c1
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| InChI |
InChI=1S/C21H24ClN5O3S2/c1-11(2)17(23)20(28)26-21-25-13(4)18(31-21)14-9-16(19(22)24-10-14)27-32(29,30)15-7-5-6-12(3)8-15/h5-11,17,27H,23H2,1-4H3,(H,25,26,28)/t17-/m0/s1
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| InChIKey |
PIBKKQFQADCDAW-KRWDZBQOSA-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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Table of Molecular Bioactivities Related to the Compound