General Information of the Compound
| Compound ID |
CP0035303
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| Compound Name |
N,N,5,7-tetramethyl-3-[4-[2-[(4-methylphenyl)sulfonylcarbamoylamino]ethyl]phenyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C29H31N3O4S2
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| Molecular Weight |
549.718
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| Canonical SMILES |
CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C29H31N3O4S2/c1-18-6-12-23(13-7-18)38(35,36)31-29(34)30-15-14-21-8-10-22(11-9-21)25-24-17-19(2)16-20(3)26(24)37-27(25)28(33)32(4)5/h6-13,16-17H,14-15H2,1-5H3,(H2,30,31,34)
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| InChIKey |
SBJWASMXBSBHSJ-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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