General Information of the Compound
| Compound ID |
CP0967601
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| Compound Name |
2-(2-Dimethylamino-ethylimino)-5-quinolin-6-ylmethylene-thiazolidin-4-one
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| Structure |
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| Formula |
C17H18N4OS
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| Molecular Weight |
326.425
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| Canonical SMILES |
CN(C)CC/N=C1/NC(=O)/C(=C/c2ccc3ncccc3c2)S1
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| InChI |
InChI=1S/C17H18N4OS/c1-21(2)9-8-19-17-20-16(22)15(23-17)11-12-5-6-14-13(10-12)4-3-7-18-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,20,22)/b15-11-
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| InChIKey |
BUABATYPAYQOMQ-PTNGSMBKSA-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