General Information of the Compound
| Compound ID |
CP0866445
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| Compound Name |
4-Morpholin-4-yl-N-{4-[4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-yl}-benzamide
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| Structure |
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| Formula |
C26H27N7O2S
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| Molecular Weight |
501.616
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| Canonical SMILES |
O=C(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1ccc(N2CCOCC2)cc1
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| InChI |
InChI=1S/C26H27N7O2S/c34-26(17-1-3-20(4-2-17)33-10-12-35-13-11-33)31-22-15-18(5-9-28-22)24-30-21-7-14-36-23(21)25(32-24)29-19-6-8-27-16-19/h1-5,7,9,14-15,19,27H,6,8,10-13,16H2,(H,28,31,34)(H,29,30,32)/t19-/m1/s1
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| InChIKey |
UJJXURHDFSFZGT-LJQANCHMSA-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