General Information of the Compound
| Compound ID |
CP0074261
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| Compound Name |
1-(2-(3-(4-methyl-6-morpholino-1H-benzo[d]imidazol-2-yl)-2-oxo-1,2-dihydropyridin-4-ylamino)ethyl)-1H-pyrazole-4-carbonitrile
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| Structure |
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| Formula |
C23H24N8O2
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| Molecular Weight |
444.499
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| Canonical SMILES |
Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(cn2)C#N)cc[nH]c1=O)N1CCOCC1
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| InChI |
InChI=1S/C23H24N8O2/c1-15-10-17(30-6-8-33-9-7-30)11-19-21(15)29-22(28-19)20-18(2-3-26-23(20)32)25-4-5-31-14-16(12-24)13-27-31/h2-3,10-11,13-14H,4-9H2,1H3,(H,28,29)(H2,25,26,32)
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| InChIKey |
AIDPYGNJDVIIOF-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