General Information of the Compound
| Compound ID |
CP0866833
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| Compound Name |
2,2'-(2,2'-thiobis(pyridine-4,2-diyl))bis(N-((R)-pyrrolidin-3-yl)thieno[3,2-d]pyrimidin-4-amine)
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| Structure |
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| Formula |
C30H28N10S3
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| Molecular Weight |
624.825
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| Canonical SMILES |
c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)cc(Sc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)n1
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| InChI |
InChI=1S/C30H28N10S3/c1-9-33-23(13-17(1)27-37-21-5-11-41-25(21)29(39-27)35-19-3-7-31-15-19)43-24-14-18(2-10-34-24)28-38-22-6-12-42-26(22)30(40-28)36-20-4-8-32-16-20/h1-2,5-6,9-14,19-20,31-32H,3-4,7-8,15-16H2,(H,35,37,39)(H,36,38,40)/t19-,20-/m1/s1
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| InChIKey |
FRYRSOUGCVOQKP-WOJBJXKFSA-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