General Information of the Compound
| Compound ID |
CP0487215
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| Compound Name |
1-(1-(2-(azepan- 1-yl)ethyl)-1H- pyrazolo[3,4- d]pyrimidin-4-yl)-3- cyclopropylthiourea hydrochloride
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| Structure |
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| Formula |
C17H25N7S
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| Molecular Weight |
359.503
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| Canonical SMILES |
S=C(NC1CC1)Nc1ncnc2n(CCN3CCCCCC3)ncc12
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| InChI |
InChI=1S/C17H25N7S/c25-17(21-13-5-6-13)22-15-14-11-20-24(16(14)19-12-18-15)10-9-23-7-3-1-2-4-8-23/h11-13H,1-10H2,(H2,18,19,21,22,25)
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| InChIKey |
DEMSVRGWAKYHMI-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