General Information of the Compound
| Compound ID |
CP0512704
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| Compound Name |
US20230365568, Compound 33
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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 |
Cc1cccc(c1C)-n1c2n[nH]c(=S)n2c2ccccc2c1=O
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| InChI |
InChI=1S/C17H14N4OS/c1-10-6-5-9-13(11(10)2)20-15(22)12-7-3-4-8-14(12)21-16(20)18-19-17(21)23/h3-9H,1-2H3,(H,19,23)
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| InChIKey |
BLZLSOAYWCNFDM-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