General Information of the Compound
| Compound ID |
CP0954554
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| Compound Name |
[6-Chloro-1-(4-methanesulfonyl-2-trifluoromethyl-benzyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-aceticacid
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| Structure |
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| Formula |
C19H16ClF3N2O4S
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| Molecular Weight |
460.861
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| Canonical SMILES |
Cc1c(CC(=O)O)c2ccc(Cl)nc2n1Cc1ccc(S(C)(=O)=O)cc1C(F)(F)F
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| InChI |
InChI=1S/C19H16ClF3N2O4S/c1-10-14(8-17(26)27)13-5-6-16(20)24-18(13)25(10)9-11-3-4-12(30(2,28)29)7-15(11)19(21,22)23/h3-7H,8-9H2,1-2H3,(H,26,27)
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| InChIKey |
OBVVFBINKAZBAI-UHFFFAOYSA-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