General Information of the Compound
| Compound ID |
CP0007975
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| Compound Name |
N-[(2S,3S)-3-amino-2-hydroxy-3-phenylpropyl]-3,4-dichloro-N-cycloheptylbenzenesulfonamide
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| Formula |
C22H28Cl2N2O3S
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| Molecular Weight |
471.45
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| Canonical SMILES |
N[C@H]([C@@H](O)CN(C1CCCCCC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
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| InChI |
InChI=1S/C22H28Cl2N2O3S/c23-19-13-12-18(14-20(19)24)30(28,29)26(17-10-6-1-2-7-11-17)15-21(27)22(25)16-8-4-3-5-9-16/h3-5,8-9,12-14,17,21-22,27H,1-2,6-7,10-11,15,25H2/t21-,22-/m0/s1
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| InChIKey |
OTNPVATWDKVQBL-VXKWHMMOSA-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