General Information of the Compound
| Compound ID |
CP0952761
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| Compound Name |
2-(3-Fluoro-pyridin-4-yl)-N'4-(R)-pyrrolidin-3-yl-N'7-m-tolyl-thieno[3,2-d]pyrimidine-4,7-diamine
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| Structure |
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| Formula |
C22H21FN6S
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| Molecular Weight |
420.517
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| Canonical SMILES |
Cc1cccc(Nc2csc3c(N[C@@H]4CCNC4)nc(-c4ccncc4F)nc23)c1
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| InChI |
InChI=1S/C22H21FN6S/c1-13-3-2-4-14(9-13)26-18-12-30-20-19(18)28-21(16-6-8-25-11-17(16)23)29-22(20)27-15-5-7-24-10-15/h2-4,6,8-9,11-12,15,24,26H,5,7,10H2,1H3,(H,27,28,29)/t15-/m1/s1
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| InChIKey |
ONDGXGVMQOFXPZ-OAHLLOKOSA-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