General Information of the Compound
| Compound ID |
CP0109995
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| Compound Name |
N-(pyridin-2-ylmethyl)-8-[[3-(pyridin-2-ylmethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C32H24N6O2S2
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| Molecular Weight |
588.718
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| Canonical SMILES |
O=C(NCc1ccccn1)c1cnc2c(SSc3cccc4cc(cnc34)C(=O)NCc3ccccn3)cccc2c1
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| InChI |
InChI=1S/C32H24N6O2S2/c39-31(37-19-25-9-1-3-13-33-25)23-15-21-7-5-11-27(29(21)35-17-23)41-42-28-12-6-8-22-16-24(18-36-30(22)28)32(40)38-20-26-10-2-4-14-34-26/h1-18H,19-20H2,(H,37,39)(H,38,40)
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| InChIKey |
ZGBWITBAJFSYHV-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