General Information of the Compound
| Compound ID |
CP0954830
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| Compound Name |
[2-(2-Isopropylamino-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 |
C18H22N6S
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| Molecular Weight |
354.483
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| Canonical SMILES |
CC(C)Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1
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| InChI |
InChI=1S/C18H22N6S/c1-11(2)21-15-9-12(3-7-20-15)17-23-14-5-8-25-16(14)18(24-17)22-13-4-6-19-10-13/h3,5,7-9,11,13,19H,4,6,10H2,1-2H3,(H,20,21)(H,22,23,24)/t13-/m1/s1
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| InChIKey |
PNHIKXOKOOQDIT-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