General Information of the Compound
| Compound ID |
CP0218901
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| Compound Name |
[5-[3-(4-methylphenyl)-4-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
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| Structure |
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| Formula |
C19H20ClNO4S3
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| Molecular Weight |
458.026
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| Canonical SMILES |
Cl.Cc1ccc(cc1)-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
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| InChI |
InChI=1S/C19H19NO4S3.ClH/c1-13-3-5-14(6-4-13)17-11-16(8-9-18(17)26(2,21)22)27(23,24)19-10-7-15(12-20)25-19;/h3-11H,12,20H2,1-2H3;1H
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| InChIKey |
OCNDXTPNHVAWBA-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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