General Information of the Compound
| Compound ID |
CP0951916
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| Compound Name |
4-((S)-2-Amino-3-phenyl-propylamino)-2-pyridin-4-yl-thieno[3,2-d]pyrimidine-7-carbonitrile
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| Structure |
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| Formula |
C21H18N6S
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| Molecular Weight |
386.484
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| Canonical SMILES |
N#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C21H18N6S/c22-11-16-13-28-19-18(16)26-20(15-6-8-24-9-7-15)27-21(19)25-12-17(23)10-14-4-2-1-3-5-14/h1-9,13,17H,10,12,23H2,(H,25,26,27)/t17-/m0/s1
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| InChIKey |
HMVNTRNHJRIZJJ-KRWDZBQOSA-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