General Information of the Compound
| Compound ID |
CP0920709
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| Compound Name |
SID4261669
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| Structure |
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| Formula |
C21H18N4O2S2
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| Molecular Weight |
422.535
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| Canonical SMILES |
Cc1sc2nc(SCc3nc4ccccc4[nH]3)n(Cc3ccco3)c(=O)c2c1C
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| InChI |
InChI=1S/C21H18N4O2S2/c1-12-13(2)29-19-18(12)20(26)25(10-14-6-5-9-27-14)21(24-19)28-11-17-22-15-7-3-4-8-16(15)23-17/h3-9H,10-11H2,1-2H3,(H,22,23)
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| InChIKey |
LBZBKSKOQQMJKF-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