General Information of the Compound
| Compound ID |
CP0063518
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| Compound Name |
4-(2-(5-bromo-1-methyl-1H-imidazol-4-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 |
C23H26BrN7O2
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| Molecular Weight |
512.412
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| Canonical SMILES |
Cc1cc(cc2[nH]c(nc12)-c1c(NCCc2ncn(C)c2Br)cc[nH]c1=O)N1CCOCC1
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| InChI |
InChI=1S/C23H26BrN7O2/c1-14-11-15(31-7-9-33-10-8-31)12-18-20(14)29-22(28-18)19-16(3-6-26-23(19)32)25-5-4-17-21(24)30(2)13-27-17/h3,6,11-13H,4-5,7-10H2,1-2H3,(H,28,29)(H2,25,26,32)
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| InChIKey |
FAQGLJKGDVZPDX-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