General Information of the Compound
| Compound ID |
CP0952712
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| Compound Name |
(7-Ethynyl-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 |
C17H15N5S
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| Molecular Weight |
321.409
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| Canonical SMILES |
C#Cc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C17H15N5S/c1-2-11-10-23-15-14(11)21-16(12-3-6-18-7-4-12)22-17(15)20-13-5-8-19-9-13/h1,3-4,6-7,10,13,19H,5,8-9H2,(H,20,21,22)/t13-/m1/s1
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| InChIKey |
LQRXXFOPTVZPBM-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