General Information of the Compound
| Compound ID |
CP0445083
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| Compound Name |
3-(2-(2,3-dichlorobenzyl)-1H-benzo[d]imidazol-5-yl)-1-((1r,4r)-4-morpholinocyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Formula |
C29H30Cl2N8O
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| Molecular Weight |
577.52
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| Canonical SMILES |
Nc1ncnc2n(nc(-c3ccc4nc(Cc5cccc(Cl)c5Cl)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1
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| InChI |
InChI=1S/C29H30Cl2N8O/c30-21-3-1-2-17(26(21)31)15-24-35-22-9-4-18(14-23(22)36-24)27-25-28(32)33-16-34-29(25)39(37-27)20-7-5-19(6-8-20)38-10-12-40-13-11-38/h1-4,9,14,16,19-20H,5-8,10-13,15H2,(H,35,36)(H2,32,33,34)/t19-,20-
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| InChIKey |
YHFHYEDRUYCUQX-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