General Information of the Compound
| Compound ID |
CP0524232
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| Compound Name |
1-((1r,4r)-4-morpholinocyclohexyl)-3-(2-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Formula |
C28H31N9O
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| Molecular Weight |
509.618
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| Canonical SMILES |
Nc1ncnc2n(nc(-c3ccc4nc(Cc5ccccn5)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1
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| InChI |
InChI=1S/C28H31N9O/c29-27-25-26(18-4-9-22-23(15-18)34-24(33-22)16-19-3-1-2-10-30-19)35-37(28(25)32-17-31-27)21-7-5-20(6-8-21)36-11-13-38-14-12-36/h1-4,9-10,15,17,20-21H,5-8,11-14,16H2,(H,33,34)(H2,29,31,32)/t20-,21-
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| InChIKey |
KALBSUQXUTZBAT-MEMLXQNLSA-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