General Information of the Compound
| Compound ID |
CP0533098
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| Compound Name |
3-(2-(4-chlorobenzyl)-1H-benzo[d]imidazol-5-yl)-1-((1r,4r)-4-morpholinocyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Formula |
C29H31ClN8O
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| Molecular Weight |
543.075
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| Canonical SMILES |
Nc1ncnc2n(nc(-c3ccc4nc(Cc5ccc(Cl)cc5)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1
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| InChI |
InChI=1S/C29H31ClN8O/c30-20-4-1-18(2-5-20)15-25-34-23-10-3-19(16-24(23)35-25)27-26-28(31)32-17-33-29(26)38(36-27)22-8-6-21(7-9-22)37-11-13-39-14-12-37/h1-5,10,16-17,21-22H,6-9,11-15H2,(H,34,35)(H2,31,32,33)/t21-,22-
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| InChIKey |
DQSMUUSDDPDZSM-HZCBDIJESA-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