General Information of the Compound
| Compound ID |
CP0238143
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| Compound Name |
2-[4-[(1R)-1-[(4,5-dichloro-1,6-dimethylindole-2-carbonyl)amino]ethyl]phenyl]sulfonylacetic acid
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| Structure |
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| Formula |
C21H20Cl2N2O5S
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| Molecular Weight |
483.373
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| Canonical SMILES |
C[C@@H](NC(=O)c1cc2c(Cl)c(Cl)c(C)cc2n1C)c1ccc(cc1)S(=O)(=O)CC(O)=O
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| InChI |
InChI=1S/C21H20Cl2N2O5S/c1-11-8-16-15(20(23)19(11)22)9-17(25(16)3)21(28)24-12(2)13-4-6-14(7-5-13)31(29,30)10-18(26)27/h4-9,12H,10H2,1-3H3,(H,24,28)(H,26,27)/t12-/m1/s1
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| InChIKey |
IUFOKLVYFIFZOB-GFCCVEGCSA-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