General Information of the Compound
| Compound ID |
CP0557126
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| Compound Name |
2-(N-(4-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenyl)sulfamoylamino)ethylphosphonic Acid
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| Structure |
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| Formula |
C18H22Cl2N3O5PS
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| Molecular Weight |
494.337
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| Canonical SMILES |
CN1CC(c2ccc(NS(=O)(=O)NCCP(O)(O)=O)cc2)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C18H22Cl2N3O5PS/c1-23-10-16(15-8-13(19)9-18(20)17(15)11-23)12-2-4-14(5-3-12)22-30(27,28)21-6-7-29(24,25)26/h2-5,8-9,16,21-22H,6-7,10-11H2,1H3,(H2,24,25,26)
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| InChIKey |
XZUNIHOKJSCYRM-UHFFFAOYSA-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