General Information of the Compound
| Compound ID |
CP0720195
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| Compound Name |
SID17432349
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| Structure |
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| Formula |
C23H21ClN4O2S
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| Molecular Weight |
452.967
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| Canonical SMILES |
Cc1ccc(CCc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2-c2ccccc2)o1
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| InChI |
InChI=1S/C23H21ClN4O2S/c1-16-10-11-20(30-16)12-13-21-26-27-23(28(21)19-8-3-2-4-9-19)31-15-22(29)25-18-7-5-6-17(24)14-18/h2-11,14H,12-13,15H2,1H3,(H,25,29)
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| InChIKey |
HAZZYVUKHPGXEU-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