General Information of the Compound
| Compound ID |
CP0109992
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| Compound Name |
N-[2-(1,3-thiazol-2-yl)ethyl]-8-[[7-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]-1,5-naphthyridin-4-yl]disulfanyl]-1,5-naphthyridine-3-carboxamide
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| Structure |
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| Formula |
C28H22N8O2S4
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| Molecular Weight |
630.806
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| Canonical SMILES |
O=C(NCCc1nccs1)c1cnc2c(SSc3ccnc4cc(cnc34)C(=O)NCCc3nccs3)ccnc2c1
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| InChI |
InChI=1S/C28H22N8O2S4/c37-27(33-7-3-23-31-9-11-39-23)17-13-19-25(35-15-17)21(1-5-29-19)41-42-22-2-6-30-20-14-18(16-36-26(20)22)28(38)34-8-4-24-32-10-12-40-24/h1-2,5-6,9-16H,3-4,7-8H2,(H,33,37)(H,34,38)
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| InChIKey |
OFNQVOGOMOJAMR-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