General Information of the Compound
| Compound ID |
CP0124904
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| Compound Name |
[5-[3-(4-methylphenyl)-5-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine
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| Structure |
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| Formula |
C19H19NO4S3
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| Molecular Weight |
421.565
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| Canonical SMILES |
Cc1ccc(cc1)-c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
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| InChI |
InChI=1S/C19H19NO4S3/c1-13-3-5-14(6-4-13)15-9-17(26(2,21)22)11-18(10-15)27(23,24)19-8-7-16(12-20)25-19/h3-11H,12,20H2,1-2H3
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| InChIKey |
QQEHYBZQIWAHGI-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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