General Information of the Compound
| Compound ID |
CP0482901
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| Compound Name |
(2S)-2-methoxypropyl 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 |
C25H29ClN2O6S
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| Molecular Weight |
521.035
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| Canonical SMILES |
CO[C@@H](C)COC(=O)CS(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1cc2c(Cl)cc(C)cc2n1C
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| InChI |
InChI=1S/C25H29ClN2O6S/c1-15-10-21(26)20-12-23(28(4)22(20)11-15)25(30)27-17(3)18-6-8-19(9-7-18)35(31,32)14-24(29)34-13-16(2)33-5/h6-12,16-17H,13-14H2,1-5H3,(H,27,30)/t16-,17+/m0/s1
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| InChIKey |
BWHRFJBAGWUHEX-DLBZAZTESA-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