General Information of the Compound
| Compound ID |
CP0954187
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| Compound Name |
1-tert-Butyl-3-{4-[4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-yl}-urea
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| Structure |
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| Formula |
C20H25N7OS
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| Molecular Weight |
411.535
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| Canonical SMILES |
CC(C)(C)NC(=O)Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1
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| InChI |
InChI=1S/C20H25N7OS/c1-20(2,3)27-19(28)25-15-10-12(4-8-22-15)17-24-14-6-9-29-16(14)18(26-17)23-13-5-7-21-11-13/h4,6,8-10,13,21H,5,7,11H2,1-3H3,(H,23,24,26)(H2,22,25,27,28)/t13-/m1/s1
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| InChIKey |
RMCCHZLYDFOPAW-CYBMUJFWSA-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