General Information of the Compound
| Compound ID |
CP0903477
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| Compound Name |
N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-(pyrrolidin-1-ylmethyl)biphenyl-4-carboxamide hydrochloride
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| Structure |
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| Formula |
C28H30ClN3O2
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| Molecular Weight |
476.02
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| Canonical SMILES |
CN1C(=O)CCc2ccc(NC(=O)c3ccc(-c4ccccc4)c(CN4CCCC4)c3)cc21.Cl
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| InChI |
InChI=1S/C28H29N3O2.ClH/c1-30-26-18-24(12-9-21(26)11-14-27(30)32)29-28(33)22-10-13-25(20-7-3-2-4-8-20)23(17-22)19-31-15-5-6-16-31;/h2-4,7-10,12-13,17-18H,5-6,11,14-16,19H2,1H3,(H,29,33);1H
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| InChIKey |
NTXGSXOFQMYYMX-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