General Information of the Compound
| Compound ID |
CP0924091
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| Compound Name |
4-((S)-2-Amino-3-phenyl-propylamino)-2-pyridin-4-yl-thieno[3,2-d]pyrimidine-7-carboxylic acid methylamide
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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 |
CNC(=O)c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C22H22N6OS/c1-24-22(29)17-13-30-19-18(17)27-20(15-7-9-25-10-8-15)28-21(19)26-12-16(23)11-14-5-3-2-4-6-14/h2-10,13,16H,11-12,23H2,1H3,(H,24,29)(H,26,27,28)/t16-/m0/s1
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| InChIKey |
DNRVRTMNYNXDIR-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