General Information of the Compound
| Compound ID |
CP0952729
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| Compound Name |
4-((S)-2-Amino-3-phenyl-propylamino)-5-methyl-2-pyridin-4-yl-thieno[2,3-d]pyrimidine-6-carboxylic acid amide
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| Structure |
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| Formula |
C22H22N6OS
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| Molecular Weight |
418.526
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| Canonical SMILES |
Cc1c(C(N)=O)sc2nc(-c3ccncc3)nc(NC[C@@H](N)Cc3ccccc3)c12
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| InChI |
InChI=1S/C22H22N6OS/c1-13-17-21(26-12-16(23)11-14-5-3-2-4-6-14)27-20(15-7-9-25-10-8-15)28-22(17)30-18(13)19(24)29/h2-10,16H,11-12,23H2,1H3,(H2,24,29)(H,26,27,28)/t16-/m0/s1
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| InChIKey |
HQOFQEOCOBHUME-INIZCTEOSA-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