General Information of the Compound
| Compound ID |
CP0236503
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| Compound Name |
1-(2-chlorophenyl)sulfanyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
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| Structure |
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| Formula |
C16H13ClN2OS
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| Molecular Weight |
316.813
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| Canonical SMILES |
Clc1ccccc1Sc1[nH]c(=O)c(C#N)c2CCCCc12
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| InChI |
InChI=1S/C16H13ClN2OS/c17-13-7-3-4-8-14(13)21-16-11-6-2-1-5-10(11)12(9-18)15(20)19-16/h3-4,7-8H,1-2,5-6H2,(H,19,20)
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| InChIKey |
LAMKXQNYFVTWQP-UHFFFAOYSA-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