General Information of the Compound
| Compound ID |
CP0578826
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| Compound Name |
sodium;2-[2-[3-[(4-cyanonaphthalen-1-yl)amino]pyridin-4-yl]sulfanyl-6-nitrophenyl]acetate
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| Structure |
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| Formula |
C24H15N4NaO4S
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| Molecular Weight |
478.465
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| Canonical SMILES |
[Na+].[O-]C(=O)Cc1c(Sc2ccncc2Nc2ccc(C#N)c3ccccc23)cccc1[N+]([O-])=O
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| InChI |
InChI=1S/C24H16N4O4S.Na/c25-13-15-8-9-19(17-5-2-1-4-16(15)17)27-20-14-26-11-10-23(20)33-22-7-3-6-21(28(31)32)18(22)12-24(29)30;/h1-11,14,27H,12H2,(H,29,30);/q;+1/p-1
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| InChIKey |
UUIZIUJQJYVWIS-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