General Information of the Compound
| Compound ID |
CP0924088
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| Compound Name |
(6-Ethynyl-7-methyl-2-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 |
C18H17N5S
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| Molecular Weight |
335.436
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| Canonical SMILES |
C#Cc1sc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc2c1C
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| InChI |
InChI=1S/C18H17N5S/c1-3-14-11(2)15-16(24-14)18(21-13-6-9-20-10-13)23-17(22-15)12-4-7-19-8-5-12/h1,4-5,7-8,13,20H,6,9-10H2,2H3,(H,21,22,23)/t13-/m1/s1
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| InChIKey |
KLLXXEXOGKZORF-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