General Information of the Compound
| Compound ID |
CP0459739
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| Compound Name |
2-[4-[(3-phenoxyphenyl)methylamino]phenyl]sulfanylacetic acid
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| Structure |
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| Formula |
C21H19NO3S
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| Molecular Weight |
365.454
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| Canonical SMILES |
OC(=O)CSc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
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| InChI |
InChI=1S/C21H19NO3S/c23-21(24)15-26-20-11-9-17(10-12-20)22-14-16-5-4-8-19(13-16)25-18-6-2-1-3-7-18/h1-13,22H,14-15H2,(H,23,24)
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| InChIKey |
ANFRWUOYNBBTSG-UHFFFAOYSA-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