General Information of the Compound
| Compound ID |
CP0571878
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| Compound Name |
2-(2-ethoxyethoxy)ethyl 2-{4-[(1R)-1-[(4-chloro-1,6-dimethyl-1H-indol-2- yl)formamido]ethyl]benzenesulfonyl}acetate
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| Structure |
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| Formula |
C27H33ClN2O7S
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| Molecular Weight |
565.088
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| Canonical SMILES |
CCOCCOCCOC(=O)CS(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1cc2c(Cl)cc(C)cc2n1C
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| InChI |
InChI=1S/C27H33ClN2O7S/c1-5-35-10-11-36-12-13-37-26(31)17-38(33,34)21-8-6-20(7-9-21)19(3)29-27(32)25-16-22-23(28)14-18(2)15-24(22)30(25)4/h6-9,14-16,19H,5,10-13,17H2,1-4H3,(H,29,32)/t19-/m1/s1
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| InChIKey |
QPFKNYUHGBKYHF-LJQANCHMSA-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