General Information of the Compound
| Compound ID |
CP0490592
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| Compound Name |
2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl-[(3-phenoxyphenyl)methyl]amino]ethyl piperidine-1-carboxylate
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| Structure |
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| Formula |
C32H38N2O6S
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| Molecular Weight |
578.731
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| Canonical SMILES |
CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CCOC(=O)N1CCCCC1)Cc1cccc(Oc2ccccc2)c1
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| InChI |
InChI=1S/C32H38N2O6S/c1-32(2)17-16-26-23-29(14-15-30(26)40-32)41(36,37)34(20-21-38-31(35)33-18-7-4-8-19-33)24-25-10-9-13-28(22-25)39-27-11-5-3-6-12-27/h3,5-6,9-15,22-23H,4,7-8,16-21,24H2,1-2H3
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| InChIKey |
OTKJSPAEOWOKQG-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