General Information of the Compound
| Compound ID |
CP0904447
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| Compound Name |
{2-[2-(5-Phenyl-pyridin-2-ylamino)-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 |
C26H23N7S
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| Molecular Weight |
465.586
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| Canonical SMILES |
c1ccc(-c2ccc(Nc3cc(-c4nc(N[C@@H]5CCNC5)c5sccc5n4)ccn3)nc2)cc1
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| InChI |
InChI=1S/C26H23N7S/c1-2-4-17(5-3-1)19-6-7-22(29-15-19)32-23-14-18(8-12-28-23)25-31-21-10-13-34-24(21)26(33-25)30-20-9-11-27-16-20/h1-8,10,12-15,20,27H,9,11,16H2,(H,28,29,32)(H,30,31,33)/t20-/m1/s1
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| InChIKey |
HUOMCOTYFPAAAZ-HXUWFJFHSA-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