General Information of the Compound
| Compound ID |
CP0461788
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| Compound Name |
CHEMBL3113364
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| Formula |
C21H19N5O2S
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| Molecular Weight |
405.483
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| Canonical SMILES |
Cc1ccc(Nc2nc3ccc(C)cn3c(=N)c2S(=O)(=O)c2ccccc2)nc1
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| InChI |
InChI=1S/C21H19N5O2S/c1-14-8-10-17(23-12-14)24-21-19(29(27,28)16-6-4-3-5-7-16)20(22)26-13-15(2)9-11-18(26)25-21/h3-13,22H,1-2H3,(H,23,24)
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| InChIKey |
WIRJKXWWWVOVDV-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