General Information of the Compound
| Compound ID |
CP0551984
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| Compound Name |
2-{4-[(1S)-1-({4,5-dichloro-1,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-2- yl}formamido)-2-hydroxyethyl]benzenesulfonyl}acetic acid
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| Structure |
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| Formula |
C20H19Cl2N3O6S
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| Molecular Weight |
500.36
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| Canonical SMILES |
Cc1nc2n(C)c(cc2c(Cl)c1Cl)C(=O)N[C@H](CO)c1ccc(cc1)S(=O)(=O)CC(O)=O
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| InChI |
InChI=1S/C20H19Cl2N3O6S/c1-10-17(21)18(22)13-7-15(25(2)19(13)23-10)20(29)24-14(8-26)11-3-5-12(6-4-11)32(30,31)9-16(27)28/h3-7,14,26H,8-9H2,1-2H3,(H,24,29)(H,27,28)/t14-/m1/s1
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| InChIKey |
SNDYHSWJKZYFLY-CQSZACIVSA-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