General Information of the Compound
| Compound ID |
CP0541450
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| Compound Name |
4-[(4-benzoyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinolin-9-yl)-cyclopropylamino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C26H28N2O4
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| Molecular Weight |
432.52
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| Canonical SMILES |
OC(=O)CCC(=O)N(C1CC1)C1C2CCCC2N(C(=O)c2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C26H28N2O4/c29-23(15-16-24(30)31)27(18-13-14-18)25-19-9-4-5-11-21(19)28(22-12-6-10-20(22)25)26(32)17-7-2-1-3-8-17/h1-5,7-9,11,18,20,22,25H,6,10,12-16H2,(H,30,31)
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| InChIKey |
OSRNONJISPOSIJ-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