General Information of the Compound
| Compound ID |
CP0210676
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| Compound Name |
1-[(3-chlorophenyl)methylsulfanyl]-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
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| Structure |
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| Formula |
C17H15ClN2OS
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| Molecular Weight |
330.84
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| Canonical SMILES |
Clc1cccc(CSc2[nH]c(=O)c(C#N)c3CCCCc23)c1
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| InChI |
InChI=1S/C17H15ClN2OS/c18-12-5-3-4-11(8-12)10-22-17-14-7-2-1-6-13(14)15(9-19)16(21)20-17/h3-5,8H,1-2,6-7,10H2,(H,20,21)
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| InChIKey |
BYVCWQGQHGJKIR-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