General Information of the Compound
| Compound ID |
CP0565342
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| Compound Name |
1-(1-(2-(azepan- 1-yl)ethyl)-1H- pyrazolo[3,4- d]pyrimidin-4-yl)- 3-propylthiourea
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| Structure |
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| Formula |
C17H27N7S
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| Molecular Weight |
361.519
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| Canonical SMILES |
CCCNC(=S)Nc1ncnc2n(CCN3CCCCCC3)ncc12
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| InChI |
InChI=1S/C17H27N7S/c1-2-7-18-17(25)22-15-14-12-21-24(16(14)20-13-19-15)11-10-23-8-5-3-4-6-9-23/h12-13H,2-11H2,1H3,(H2,18,19,20,22,25)
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| InChIKey |
LQXNEEICCKXMOP-UHFFFAOYSA-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