General Information of the Compound
| Compound ID |
CP0924092
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| Compound Name |
(2-{2-[3-(Propane-2-sulfonyl)-phenylamino]-pyridin-4-yl}-thieno[3,2-d]pyrimidin-4-yl)-(R)-pyrrolidin-3-yl-amine
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| Structure |
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| Formula |
C24H26N6O2S2
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| Molecular Weight |
494.646
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| Canonical SMILES |
CC(C)S(=O)(=O)c1cccc(Nc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)c1
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| InChI |
InChI=1S/C24H26N6O2S2/c1-15(2)34(31,32)19-5-3-4-17(13-19)27-21-12-16(6-10-26-21)23-29-20-8-11-33-22(20)24(30-23)28-18-7-9-25-14-18/h3-6,8,10-13,15,18,25H,7,9,14H2,1-2H3,(H,26,27)(H,28,29,30)/t18-/m1/s1
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| InChIKey |
MANVBJSHDFNRGD-GOSISDBHSA-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