General Information of the Compound
| Compound ID |
CP0457625
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| Compound Name |
3-[2-(2-methyl-benzyl)-1H-benzoimidazol-5-yl]-1-(4-morpholin-4-yl-cyclhexyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine
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| Formula |
C30H34N8O
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| Molecular Weight |
522.657
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| Canonical SMILES |
Cc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCOCC2)c2ncnc(N)c12
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| InChI |
InChI=1S/C30H34N8O/c1-19-4-2-3-5-20(19)17-26-34-24-11-6-21(16-25(24)35-26)28-27-29(31)32-18-33-30(27)38(36-28)23-9-7-22(8-10-23)37-12-14-39-15-13-37/h2-6,11,16,18,22-23H,7-10,12-15,17H2,1H3,(H,34,35)(H2,31,32,33)/t22-,23-
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| InChIKey |
BYIDGOBQQNUSIG-YHBQERECSA-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