General Information of the Compound
| Compound ID |
CP0414183
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| Compound Name |
N-[2-(2-aminoethoxy)ethyl]-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl-[(4-phenoxyphenyl)methyl]amino]acetamide
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| Structure |
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| Formula |
C30H37N3O6S
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| Molecular Weight |
567.708
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| Canonical SMILES |
CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(=O)NCCOCCN)Cc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C30H37N3O6S/c1-30(2)15-14-24-20-27(12-13-28(24)39-30)40(35,36)33(22-29(34)32-17-19-37-18-16-31)21-23-8-10-26(11-9-23)38-25-6-4-3-5-7-25/h3-13,20H,14-19,21-22,31H2,1-2H3,(H,32,34)
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| InChIKey |
ZZWCULSLNIIIDP-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound