General Information of the Compound
| Compound ID |
CP0512502
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| Compound Name |
N-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-3,4-dichloro-N-(2-methylpropyl)benzenesulfonamide
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| Formula |
C20H26Cl2N2O3S
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| Molecular Weight |
445.412
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| Canonical SMILES |
CC(C)CN(C[C@H](O)[C@@H](N)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C20H26Cl2N2O3S/c1-14(2)12-24(28(26,27)16-8-9-17(21)18(22)11-16)13-20(25)19(23)10-15-6-4-3-5-7-15/h3-9,11,14,19-20,25H,10,12-13,23H2,1-2H3/t19-,20-/m0/s1
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| InChIKey |
BNNFJZLGVGPNGQ-PMACEKPBSA-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