General Information of the Compound
| Compound ID |
CP0495790
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| Compound Name |
2-methoxyethyl 2-{4-[(1R)-1-({4,5-dichloro-1,6-dimethyl-1H-pyrrolo[2,3- b]pyridin-2-yl}formamido)ethyl]benzenesulfonyl}acetate
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| Structure |
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| Formula |
C23H25Cl2N3O6S
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| Molecular Weight |
542.441
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| Canonical SMILES |
COCCOC(=O)CS(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1cc2c(Cl)c(Cl)c(C)nc2n1C
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| InChI |
InChI=1S/C23H25Cl2N3O6S/c1-13(15-5-7-16(8-6-15)35(31,32)12-19(29)34-10-9-33-4)27-23(30)18-11-17-21(25)20(24)14(2)26-22(17)28(18)3/h5-8,11,13H,9-10,12H2,1-4H3,(H,27,30)/t13-/m1/s1
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| InChIKey |
CINCZFVKQGREDH-CYBMUJFWSA-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