General Information of the Compound
| Compound ID |
CP0514738
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| Compound Name |
4-(2-(3-(2,6-dichlorophenylamino)-6-(phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)piperazin-1-ol
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| Structure |
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| Formula |
C23H24Cl2N8O
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| Molecular Weight |
499.406
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| Canonical SMILES |
ON1CCN(CCn2nc(Nc3c(Cl)cccc3Cl)c3cnc(Nc4ccccc4)nc23)CC1
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| InChI |
InChI=1S/C23H24Cl2N8O/c24-18-7-4-8-19(25)20(18)28-21-17-15-26-23(27-16-5-2-1-3-6-16)29-22(17)33(30-21)14-11-31-9-12-32(34)13-10-31/h1-8,15,34H,9-14H2,(H,28,30)(H,26,27,29)
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| InChIKey |
UBSGMEAIJQLDHM-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