General Information of the Compound
| Compound ID |
CP0559196
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| Compound Name |
2-(acetyloxy)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 |
C25H27ClN2O7S
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| Molecular Weight |
535.018
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| Canonical SMILES |
C[C@@H](NC(=O)c1cc2c(Cl)cc(C)cc2n1C)c1ccc(cc1)S(=O)(=O)CC(=O)OCCOC(C)=O
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| InChI |
InChI=1S/C25H27ClN2O7S/c1-15-11-21(26)20-13-23(28(4)22(20)12-15)25(31)27-16(2)18-5-7-19(8-6-18)36(32,33)14-24(30)35-10-9-34-17(3)29/h5-8,11-13,16H,9-10,14H2,1-4H3,(H,27,31)/t16-/m1/s1
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| InChIKey |
GRWPFHWDFNZJSU-MRXNPFEDSA-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