General Information of the Compound
| Compound ID |
CP0240193
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| Compound Name |
methyl 4-[4-morpholin-4-yl-6-[4-[[4-(2-morpholin-4-ylethyl)phenyl]carbamoylamino]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C35H43N9O5
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| Molecular Weight |
669.787
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| Canonical SMILES |
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1)N1CCOCC1
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| InChI |
InChI=1S/C35H43N9O5/c1-47-35(46)43-14-11-29(12-15-43)44-33-30(24-36-44)32(42-18-22-49-23-19-42)39-31(40-33)26-4-8-28(9-5-26)38-34(45)37-27-6-2-25(3-7-27)10-13-41-16-20-48-21-17-41/h2-9,24,29H,10-23H2,1H3,(H2,37,38,45)
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| InChIKey |
BZXCVHXYXYFXQP-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