General Information of the Compound
| Compound ID |
CP0444929
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| Compound Name |
3-(2-(3,4-difluorobenzyl)-1H-benzo[d]imidazol-5-yl)-1-((1r,4r)-4-morpholinocyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Formula |
C29H30F2N8O
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| Molecular Weight |
544.61
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| Canonical SMILES |
Nc1ncnc2n(nc(-c3ccc4nc(Cc5ccc(F)c(F)c5)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1
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| InChI |
InChI=1S/C29H30F2N8O/c30-21-7-1-17(13-22(21)31)14-25-35-23-8-2-18(15-24(23)36-25)27-26-28(32)33-16-34-29(26)39(37-27)20-5-3-19(4-6-20)38-9-11-40-12-10-38/h1-2,7-8,13,15-16,19-20H,3-6,9-12,14H2,(H,35,36)(H2,32,33,34)/t19-,20-
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| InChIKey |
WTNRWZKHKDOGPC-MXVIHJGJSA-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