General Information of the Compound
| Compound ID |
CP0896800
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| Compound Name |
N,N-Dimethyl-4-{4-[4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-ylamino}-benzenesulfonamide
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| Structure |
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| Formula |
C23H25N7O2S2
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| Molecular Weight |
495.634
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| Canonical SMILES |
CN(C)S(=O)(=O)c1ccc(Nc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)cc1
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| InChI |
InChI=1S/C23H25N7O2S2/c1-30(2)34(31,32)18-5-3-16(4-6-18)26-20-13-15(7-11-25-20)22-28-19-9-12-33-21(19)23(29-22)27-17-8-10-24-14-17/h3-7,9,11-13,17,24H,8,10,14H2,1-2H3,(H,25,26)(H,27,28,29)/t17-/m1/s1
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| InChIKey |
ISPJDYFLKGYURH-QGZVFWFLSA-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