General Information of the Compound
| Compound ID |
CP0445927
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| Compound Name |
4-amino-3,5-dichloro-N-[(2R)-1-(4-methylpiperidin-1-yl)-4-(2-nitroimidazol-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C19H24Cl2N6O5S
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| Molecular Weight |
519.411
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| Canonical SMILES |
CC1CCN(CC1)C(=O)[C@@H](CCn1ccnc1[N+]([O-])=O)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
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| InChI |
InChI=1S/C19H24Cl2N6O5S/c1-12-2-6-25(7-3-12)18(28)16(4-8-26-9-5-23-19(26)27(29)30)24-33(31,32)13-10-14(20)17(22)15(21)11-13/h5,9-12,16,24H,2-4,6-8,22H2,1H3/t16-/m1/s1
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| InChIKey |
FVJCVTWWUJRNDE-MRXNPFEDSA-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