General Information of the Compound
| Compound ID |
CP0951778
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| Compound Name |
2,2-Dimethyl-N-[2-pyridin-4-yl-4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-7-yl]-butyramide
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| Structure |
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| Formula |
C21H26N6OS
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| Molecular Weight |
410.547
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| Canonical SMILES |
CCC(C)(C)C(=O)Nc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C21H26N6OS/c1-4-21(2,3)20(28)25-15-12-29-17-16(15)26-18(13-5-8-22-9-6-13)27-19(17)24-14-7-10-23-11-14/h5-6,8-9,12,14,23H,4,7,10-11H2,1-3H3,(H,25,28)(H,24,26,27)/t14-/m1/s1
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| InChIKey |
WQCPPUQCXKXBDV-CQSZACIVSA-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