General Information of the Compound
| Compound ID |
CP0494662
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| Compound Name |
3'-methyl-2-((2-oxo-3-(pyridin-2-yl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)-6,8-dihydrospiro[cyclopenta[g]quinoxaline-7,4'-imidazolidine]-2',5'-dione
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| Structure |
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| Formula |
C27H21N7O3
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| Molecular Weight |
491.511
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| Canonical SMILES |
CN1C(=O)NC(=O)C11Cc2cc3ncc(Cn4c5ccccc5n(-c5ccccn5)c4=O)nc3cc2C1
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| InChI |
InChI=1S/C27H21N7O3/c1-32-25(36)31-24(35)27(32)12-16-10-19-20(11-17(16)13-27)30-18(14-29-19)15-33-21-6-2-3-7-22(21)34(26(33)37)23-8-4-5-9-28-23/h2-11,14H,12-13,15H2,1H3,(H,31,35,36)
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| InChIKey |
CAJFPJMWJFYMRU-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