General Information of the Compound
| Compound ID |
CP0006113
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| Compound Name |
4-[3-[4-(benzenesulfonylmethoxy)-3-methylphenyl]pentan-3-yl]-N-[2-(diethylamino)ethyl]-1-ethylpyrrole-2-carboxamide
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| Structure |
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| Formula |
C32H45N3O4S
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| Molecular Weight |
567.796
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| Canonical SMILES |
CCN(CC)CCNC(=O)c1cc(cn1CC)C(CC)(CC)c1ccc(OCS(=O)(=O)c2ccccc2)c(C)c1
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| InChI |
InChI=1S/C32H45N3O4S/c1-7-32(8-2,27-22-29(35(11-5)23-27)31(36)33-19-20-34(9-3)10-4)26-17-18-30(25(6)21-26)39-24-40(37,38)28-15-13-12-14-16-28/h12-18,21-23H,7-11,19-20,24H2,1-6H3,(H,33,36)
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| InChIKey |
WQAGUZXTQVTIRL-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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Table of Molecular Bioactivities Related to the Compound