General Information of the Compound
| Compound ID |
CP0954186
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| Compound Name |
1,1-Dimethyl-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 |
C18H21N7OS
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| Molecular Weight |
383.481
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| Canonical SMILES |
CN(C)C(=O)Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1
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| InChI |
InChI=1S/C18H21N7OS/c1-25(2)18(26)23-14-9-11(3-7-20-14)16-22-13-5-8-27-15(13)17(24-16)21-12-4-6-19-10-12/h3,5,7-9,12,19H,4,6,10H2,1-2H3,(H,20,23,26)(H,21,22,24)/t12-/m1/s1
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| InChIKey |
ICCSIUNQZZYZGX-GFCCVEGCSA-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