General Information of the Compound
| Compound ID |
CP0528681
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| Compound Name |
5-methyl-2-[(4-octylsulfanylbenzoyl)amino]benzoic acid
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| Structure |
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| Formula |
C23H29NO3S
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| Molecular Weight |
399.556
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| Canonical SMILES |
CCCCCCCCSc1ccc(cc1)C(=O)Nc1ccc(C)cc1C(O)=O
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| InChI |
InChI=1S/C23H29NO3S/c1-3-4-5-6-7-8-15-28-19-12-10-18(11-13-19)22(25)24-21-14-9-17(2)16-20(21)23(26)27/h9-14,16H,3-8,15H2,1-2H3,(H,24,25)(H,26,27)
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| InChIKey |
AFZUGVIEBVWBSZ-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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