General Information of the Compound
| Compound ID |
CP0202784
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| Compound Name |
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
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| Structure |
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| Formula |
C21H21N3O5S
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| Molecular Weight |
427.482
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| Canonical SMILES |
COc1ccccc1N(CC(=O)N\N=C\c1c(O)ccc2ccccc12)S(C)(=O)=O
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| InChI |
InChI=1S/C21H21N3O5S/c1-29-20-10-6-5-9-18(20)24(30(2,27)28)14-21(26)23-22-13-17-16-8-4-3-7-15(16)11-12-19(17)25/h3-13,25H,14H2,1-2H3,(H,23,26)/b22-13+
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| InChIKey |
MSESHGTVOSFQNM-LPYMAVHISA-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
Protein ID: PT06109, Geminin
Protein ID: PT01557, Indoleamine 2,3-dioxygenase 1
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic