General Information of the Compound
| Compound ID |
CP0379767
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| Compound Name |
5-[3-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl]-2,3-dihydroisoindol-1-one
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| Structure |
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| Formula |
C18H13N3O2S
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| Molecular Weight |
335.388
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| Canonical SMILES |
O=C1NC(=S)N\C1=C/c1cccc(c1)-c1ccc2C(=O)NCc2c1
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| InChI |
InChI=1S/C18H13N3O2S/c22-16-14-5-4-12(8-13(14)9-19-16)11-3-1-2-10(6-11)7-15-17(23)21-18(24)20-15/h1-8H,9H2,(H,19,22)(H2,20,21,23,24)/b15-7-
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| InChIKey |
WETPEKZWYOKXSE-CHHVJCJISA-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