General Information of the Compound
| Compound ID |
CP0213343
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| Compound Name |
N-[2-(1,3-thiazol-2-yl)ethyl]-5-[[2-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]quinolin-5-yl]disulfanyl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C30H24N6O2S4
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| Molecular Weight |
628.83
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| Canonical SMILES |
O=C(NCCc1nccs1)c1ccc2c(SSc3cccc4nc(ccc34)C(=O)NCCc3nccs3)cccc2n1
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| InChI |
InChI=1S/C30H24N6O2S4/c37-29(33-13-11-27-31-15-17-39-27)23-9-7-19-21(35-23)3-1-5-25(19)41-42-26-6-2-4-22-20(26)8-10-24(36-22)30(38)34-14-12-28-32-16-18-40-28/h1-10,15-18H,11-14H2,(H,33,37)(H,34,38)
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| InChIKey |
ZZWWQLNFHHEYRR-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