General Information of the Compound
| Compound ID |
CP0407866
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| Compound Name |
3-(2-benzyl-7-methyl-1H-benzo[d]imidazol-5-yl)-1-((1r,4r)-4-morpholinocyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Formula |
C30H34N8O
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| Molecular Weight |
522.657
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| Canonical SMILES |
Cc1cc(cc2[nH]c(Cc3ccccc3)nc12)-c1nn([C@H]2CC[C@@H](CC2)N2CCOCC2)c2ncnc(N)c12
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| InChI |
InChI=1S/C30H34N8O/c1-19-15-21(17-24-27(19)35-25(34-24)16-20-5-3-2-4-6-20)28-26-29(31)32-18-33-30(26)38(36-28)23-9-7-22(8-10-23)37-11-13-39-14-12-37/h2-6,15,17-18,22-23H,7-14,16H2,1H3,(H,34,35)(H2,31,32,33)/t22-,23-
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| InChIKey |
ZDQDOYVLPDYTJY-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