General Information of the Compound
| Compound ID |
CP0576347
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| Compound Name |
sodium;2-[5-bromo-2-[3-[(4-cyanonaphthalen-1-yl)amino]pyridin-4-yl]sulfanylphenyl]acetate
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| Structure |
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| Formula |
C24H15BrN3NaO2S
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| Molecular Weight |
512.364
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| Canonical SMILES |
[Na+].[O-]C(=O)Cc1cc(Br)ccc1Sc1ccncc1Nc1ccc(C#N)c2ccccc12
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| InChI |
InChI=1S/C24H16BrN3O2S.Na/c25-17-6-8-22(16(11-17)12-24(29)30)31-23-9-10-27-14-21(23)28-20-7-5-15(13-26)18-3-1-2-4-19(18)20;/h1-11,14,28H,12H2,(H,29,30);/q;+1/p-1
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| InChIKey |
CYTDDDGAXQSOFQ-UHFFFAOYSA-M
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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