General Information of the Compound
| Compound ID |
CP0887830
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| Compound Name |
SID92764440
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| Structure |
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| Formula |
C16H12ClNOS
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| Molecular Weight |
301.798
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| Canonical SMILES |
Clc1ccc2c(SCC3CO3)c3ccccc3nc2c1
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| InChI |
InChI=1S/C16H12ClNOS/c17-10-5-6-13-15(7-10)18-14-4-2-1-3-12(14)16(13)20-9-11-8-19-11/h1-7,11H,8-9H2
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| InChIKey |
TVZHVHHLJPEOGD-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3