General Information of the Compound
| Compound ID |
CP0172392
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| Compound Name |
2-oxo-3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-1,2-dihydroquinoline-6-carbonitrile
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| Structure |
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| Formula |
C24H22N4O
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| Molecular Weight |
382.467
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| Canonical SMILES |
O=c1[nH]c2ccc(cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1)C#N
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| InChI |
InChI=1S/C24H22N4O/c25-14-16-4-6-22-18(10-16)12-20(24(29)27-22)23-13-19-11-17(5-7-21(19)26-23)15-28-8-2-1-3-9-28/h4-7,10-13,26H,1-3,8-9,15H2,(H,27,29)
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| InChIKey |
MWAPYBBXQBEQIA-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