General Information of the Compound
| Compound ID |
CP0668235
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| Compound Name |
1-(Quinolin-2-ylmethylene)thiosemicarbazone
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| Structure |
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| Formula |
C11H10N4S
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| Molecular Weight |
230.296
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| Canonical SMILES |
NC(=S)N/N=C/c1ccc2ccccc2n1
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| InChI |
InChI=1S/C11H10N4S/c12-11(16)15-13-7-9-6-5-8-3-1-2-4-10(8)14-9/h1-7H,(H3,12,15,16)/b13-7+
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| InChIKey |
GQSVPIHNHFNXNY-NTUHNPAUSA-N
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| CAS |
3608-81-9
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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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Table of Molecular Bioactivities Related to the Compound