General Information of the Compound
| Compound ID |
CP0323520
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| Compound Name |
1-[(2-cyanopyridin-3-yl)methylsulfanyl]-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
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| Structure |
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| Formula |
C17H14N4OS
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| Molecular Weight |
322.393
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| Canonical SMILES |
O=c1[nH]c(SCc2cccnc2C#N)c2CCCCc2c1C#N
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| InChI |
InChI=1S/C17H14N4OS/c18-8-14-12-5-1-2-6-13(12)17(21-16(14)22)23-10-11-4-3-7-20-15(11)9-19/h3-4,7H,1-2,5-6,10H2,(H,21,22)
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| InChIKey |
MQKLCGOIUHJKLU-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