General Information of the Compound
| Compound ID |
CP0372073
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| Compound Name |
2-[2-oxo-3-(oxolan-3-yl)benzimidazol-1-yl]-N-[(2S)-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 |
C28H25N5O4
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| Molecular Weight |
495.539
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| Canonical SMILES |
O=C(Cn1c2ccccc2n(C2CCOC2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31
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| InChI |
InChI=1S/C28H25N5O4/c34-24(15-32-22-5-1-2-6-23(22)33(27(32)36)20-9-11-37-16-20)30-19-8-7-17-13-28(14-18(17)12-19)21-4-3-10-29-25(21)31-26(28)35/h1-8,10,12,20H,9,11,13-16H2,(H,30,34)(H,29,31,35)/t20?,28-/m0/s1
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| InChIKey |
ZBZITUCFAIMGPC-GPIXMLASSA-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