General Information of the Compound
| Compound ID |
CP0967300
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| Compound Name |
N'4-((S)-2-Amino-3-phenyl-propyl)-2-pyridin-4-yl-N'7-pyridin-2-yl-thieno[3,2-d]pyrimidine-4,7-diamine
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| Structure |
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| Formula |
C25H23N7S
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| Molecular Weight |
453.575
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(Nc3ccccn3)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C25H23N7S/c26-19(14-17-6-2-1-3-7-17)15-29-25-23-22(31-24(32-25)18-9-12-27-13-10-18)20(16-33-23)30-21-8-4-5-11-28-21/h1-13,16,19H,14-15,26H2,(H,28,30)(H,29,31,32)/t19-/m0/s1
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| InChIKey |
BRPSSEVNNRZULI-IBGZPJMESA-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