General Information of the Compound
| Compound ID |
CP0571876
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| Compound Name |
2-{4-[(1S)-1-[(4-chloro-1,6-dimethyl-1H-indol-2-yl)formamido]-2- hydroxyethyl]benzenesulfonyl}acetic acid
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| Structure |
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| Formula |
C21H21ClN2O6S
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| Molecular Weight |
464.927
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| Canonical SMILES |
Cc1cc(Cl)c2cc(C(=O)N[C@H](CO)c3ccc(cc3)S(=O)(=O)CC(O)=O)n(C)c2c1
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| InChI |
InChI=1S/C21H21ClN2O6S/c1-12-7-16(22)15-9-19(24(2)18(15)8-12)21(28)23-17(10-25)13-3-5-14(6-4-13)31(29,30)11-20(26)27/h3-9,17,25H,10-11H2,1-2H3,(H,23,28)(H,26,27)/t17-/m1/s1
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| InChIKey |
IRYAJNZVJASVSQ-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