General Information of the Compound
| Compound ID |
CP0903385
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| Compound Name |
N-[4-((S)-2-Amino-3-phenyl-propylamino)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-7-yl]-2,2-dimethyl-butyramide
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| Structure |
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| Formula |
C26H30N6OS
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| Molecular Weight |
474.634
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| Canonical SMILES |
CCC(C)(C)C(=O)Nc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C26H30N6OS/c1-4-26(2,3)25(33)30-20-16-34-22-21(20)31-23(18-10-12-28-13-11-18)32-24(22)29-15-19(27)14-17-8-6-5-7-9-17/h5-13,16,19H,4,14-15,27H2,1-3H3,(H,30,33)(H,29,31,32)/t19-/m0/s1
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| InChIKey |
QJHDSIQFGFDGBP-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