General Information of the Compound
| Compound ID |
CP0364387
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| Compound Name |
4-(2-(4-bromo-3-(hydroxymethyl)-1H-pyrazol-1-yl)ethylamino)-3-(4-methyl-6-morpholino-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C23H26BrN7O3
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| Molecular Weight |
528.411
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| Canonical SMILES |
Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(Br)c(CO)n2)cc[nH]c1=O)N1CCOCC1
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| InChI |
InChI=1S/C23H26BrN7O3/c1-14-10-15(30-6-8-34-9-7-30)11-18-21(14)28-22(27-18)20-17(2-3-26-23(20)33)25-4-5-31-12-16(24)19(13-32)29-31/h2-3,10-12,32H,4-9,13H2,1H3,(H,27,28)(H2,25,26,33)
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| InChIKey |
HXZCWEOQFKZEKJ-UHFFFAOYSA-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