General Information of the Compound
| Compound ID |
CP0493685
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| Compound Name |
2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
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| Structure |
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| Formula |
C29H22N6O3
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| Molecular Weight |
502.534
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| Canonical SMILES |
O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2CC3(Cc2c1)C(=O)Nc1ncccc31
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| InChI |
InChI=1S/C29H22N6O3/c36-25(17-34-22-7-1-2-8-23(22)35(28(34)38)24-9-3-4-12-30-24)32-20-11-10-18-15-29(16-19(18)14-20)21-6-5-13-31-26(21)33-27(29)37/h1-14H,15-17H2,(H,32,36)(H,31,33,37)
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| InChIKey |
NPVWCAICMFQSJF-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