General Information of the Compound
| Compound ID |
CP0379766
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| Compound Name |
5-[6-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]pyridin-3-yl]-2,3-dihydroisoindol-1-one
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| Structure |
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| Formula |
C17H12N4O2S
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| Molecular Weight |
336.376
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| Canonical SMILES |
O=C1NC(=S)N\C1=C\c1ccc(cn1)-c1ccc2C(=O)NCc2c1
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| InChI |
InChI=1S/C17H12N4O2S/c22-15-13-4-2-9(5-11(13)8-19-15)10-1-3-12(18-7-10)6-14-16(23)21-17(24)20-14/h1-7H,8H2,(H,19,22)(H2,20,21,23,24)/b14-6+
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| InChIKey |
ASABPQJSRGUBJG-MKMNVTDBSA-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