General Information of the Compound
| Compound ID |
CP0578902
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| Compound Name |
6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-(4-methylphenyl)-2-oxo-8-propyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
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| Structure |
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| Formula |
C29H30N4O2
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| Molecular Weight |
466.585
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| Canonical SMILES |
CCCC1CN(CC(=O)N2CCc3ccccc23)Cc2c1[nH]c(=O)c(C#N)c2-c1ccc(C)cc1
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| InChI |
InChI=1S/C29H30N4O2/c1-3-6-22-16-32(18-26(34)33-14-13-20-7-4-5-8-25(20)33)17-24-27(21-11-9-19(2)10-12-21)23(15-30)29(35)31-28(22)24/h4-5,7-12,22H,3,6,13-14,16-18H2,1-2H3,(H,31,35)
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| InChIKey |
TVUOEVCKUGISBU-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