General Information of the Compound
| Compound ID |
CP0374289
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| Compound Name |
1-(2-(1-methyl-1H-pyrazol-3-yl)-1H-benzo[d]imidazole-5-carbonyl)-6'-(1-methyl-1H-pyrazol-4-yl)spiro[piperidine-4,2'-pyrano[2,3-c]pyridin]-4'(3'H)-one
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| Structure |
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| Formula |
C28H26N8O3
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| Molecular Weight |
522.569
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| Canonical SMILES |
Cn1ccc(n1)-c1nc2ccc(cc2[nH]1)C(=O)N1CCC2(CC1)CC(=O)c1cc(ncc1O2)-c1cnn(C)c1
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| InChI |
InChI=1S/C28H26N8O3/c1-34-8-5-21(33-34)26-31-20-4-3-17(11-23(20)32-26)27(38)36-9-6-28(7-10-36)13-24(37)19-12-22(29-15-25(19)39-28)18-14-30-35(2)16-18/h3-5,8,11-12,14-16H,6-7,9-10,13H2,1-2H3,(H,31,32)
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| InChIKey |
OJCZPSYOVCZKPH-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