General Information of the Compound
| Compound ID |
CP0485032
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| Compound Name |
Bicyclo[2.2.1]hept-2-yl-[5-(4-chloro-phenyl)-3-methyl-3H-[1,3,4]thiadiazol-(2Z)-ylidene]-amine
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| Formula |
C16H18ClN3S
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| Molecular Weight |
319.861
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| Canonical SMILES |
Cn1nc(s\c1=N/C1CC2CCC1C2)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C16H18ClN3S/c1-20-16(18-14-9-10-2-3-12(14)8-10)21-15(19-20)11-4-6-13(17)7-5-11/h4-7,10,12,14H,2-3,8-9H2,1H3/b18-16-
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| InChIKey |
FPUFTBBVURGYDG-VLGSPTGOSA-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