General Information of the Compound
| Compound ID |
CP0914006
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| Compound Name |
1-Methyl-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 |
C17H19N7OS
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| Molecular Weight |
369.454
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| Canonical SMILES |
CNC(=O)Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1
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| InChI |
InChI=1S/C17H19N7OS/c1-18-17(25)23-13-8-10(2-6-20-13)15-22-12-4-7-26-14(12)16(24-15)21-11-3-5-19-9-11/h2,4,6-8,11,19H,3,5,9H2,1H3,(H,21,22,24)(H2,18,20,23,25)/t11-/m1/s1
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| InChIKey |
DXJALZKECVXZDL-LLVKDONJSA-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