General Information of the Compound
| Compound ID |
CP0576346
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| Compound Name |
sodium;2-[4-[[3-[(4-cyanonaphthalen-1-yl)amino]pyridin-4-yl]sulfanylmethyl]phenyl]benzoate
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| Structure |
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| Formula |
C30H20N3NaO2S
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| Molecular Weight |
509.566
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| Canonical SMILES |
[Na+].[O-]C(=O)c1ccccc1-c1ccc(CSc2ccncc2Nc2ccc(C#N)c3ccccc23)cc1
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| InChI |
InChI=1S/C30H21N3O2S.Na/c31-17-22-13-14-27(25-7-3-1-6-24(22)25)33-28-18-32-16-15-29(28)36-19-20-9-11-21(12-10-20)23-5-2-4-8-26(23)30(34)35;/h1-16,18,33H,19H2,(H,34,35);/q;+1/p-1
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| InChIKey |
IAWOYOIUNDPMCR-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