General Information of the Compound
| Compound ID |
CP0951915
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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 tert-butylamide
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| Structure |
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| Formula |
C25H28N6OS
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| Molecular Weight |
460.607
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| Canonical SMILES |
CC(C)(C)NC(=O)c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C25H28N6OS/c1-25(2,3)31-24(32)19-15-33-21-20(19)29-22(17-9-11-27-12-10-17)30-23(21)28-14-18(26)13-16-7-5-4-6-8-16/h4-12,15,18H,13-14,26H2,1-3H3,(H,31,32)(H,28,29,30)/t18-/m0/s1
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| InChIKey |
KXCFEVGWGNBZNG-SFHVURJKSA-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