General Information of the Compound
| Compound ID |
CP0967310
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| Compound Name |
N-{4-[4-((R)-Pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-yl}-benzenesulfonamide
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| Structure |
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| Formula |
C21H20N6O2S2
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| Molecular Weight |
452.565
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| Canonical SMILES |
O=S(=O)(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1ccccc1
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| InChI |
InChI=1S/C21H20N6O2S2/c28-31(29,16-4-2-1-3-5-16)27-18-12-14(6-10-23-18)20-25-17-8-11-30-19(17)21(26-20)24-15-7-9-22-13-15/h1-6,8,10-12,15,22H,7,9,13H2,(H,23,27)(H,24,25,26)/t15-/m1/s1
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| InChIKey |
OBGYDJVKRQRVGO-OAHLLOKOSA-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