General Information of the Compound
| Compound ID |
CP0909714
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| Compound Name |
ethyl 2-{4-[(1R)-1-{[3-(1H-indol-1-yl)-1-methyl-1H-pyrazol-5-yl]formamido}ethyl]benzenesulfonyl}acetate
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| Structure |
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| Formula |
C25H26N4O5S
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| Molecular Weight |
494.573
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| Canonical SMILES |
CCOC(=O)CS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(-n3ccc4ccccc43)nn2C)cc1
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| InChI |
InChI=1S/C25H26N4O5S/c1-4-34-24(30)16-35(32,33)20-11-9-18(10-12-20)17(2)26-25(31)22-15-23(27-28(22)3)29-14-13-19-7-5-6-8-21(19)29/h5-15,17H,4,16H2,1-3H3,(H,26,31)/t17-/m1/s1
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| InChIKey |
BVHNRXJKSDANQZ-QGZVFWFLSA-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