General Information of the Compound
| Compound ID |
CP0579630
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| Compound Name |
sodium;2-[2-[3-[(4-cyanonaphthalen-1-yl)amino]pyridin-4-yl]sulfanyl-5-methoxyphenyl]acetate
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| Structure |
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| Formula |
C25H18N3NaO3S
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| Molecular Weight |
463.494
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| Canonical SMILES |
[Na+].COc1ccc(Sc2ccncc2Nc2ccc(C#N)c3ccccc23)c(CC([O-])=O)c1
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| InChI |
InChI=1S/C25H19N3O3S.Na/c1-31-18-7-9-23(17(12-18)13-25(29)30)32-24-10-11-27-15-22(24)28-21-8-6-16(14-26)19-4-2-3-5-20(19)21;/h2-12,15,28H,13H2,1H3,(H,29,30);/q;+1/p-1
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| InChIKey |
IBZXFAFPNXJUQD-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