General Information of the Compound
| Compound ID |
CP0117207
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| Compound Name |
3-(4-(2-(2-(2-methoxyphenyl)acetamido)ethyl)phenyl)-N,N,5,7-tetramethylbenzo[b]thiophene-2-carboxamide
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| Structure |
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| Formula |
C30H32N2O3S
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| Molecular Weight |
500.664
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| Canonical SMILES |
COc1ccccc1CC(=O)NCCc1ccc(cc1)-c1c(sc2c(C)cc(C)cc12)C(=O)N(C)C
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| InChI |
InChI=1S/C30H32N2O3S/c1-19-16-20(2)28-24(17-19)27(29(36-28)30(34)32(3)4)22-12-10-21(11-13-22)14-15-31-26(33)18-23-8-6-7-9-25(23)35-5/h6-13,16-17H,14-15,18H2,1-5H3,(H,31,33)
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| InChIKey |
RFLCCBORSMQZKZ-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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