General Information of the Compound
| Compound ID |
CP0954691
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| Compound Name |
(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 |
C16H17N5S
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| Molecular Weight |
311.414
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| Canonical SMILES |
Cc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C16H17N5S/c1-10-9-22-14-13(10)20-15(11-2-5-17-6-3-11)21-16(14)19-12-4-7-18-8-12/h2-3,5-6,9,12,18H,4,7-8H2,1H3,(H,19,20,21)/t12-/m1/s1
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| InChIKey |
JJGKGBHFMUFMDN-GFCCVEGCSA-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