General Information of the Compound
| Compound ID |
CP0391328
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| Compound Name |
propyl (2R)-2-methyl-4-(2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate
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| Structure |
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| Formula |
C25H27N3O3
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| Molecular Weight |
417.509
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| Canonical SMILES |
CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2ccc(nc2c1)-c1ccccc1
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| InChI |
InChI=1S/C25H27N3O3/c1-3-15-31-25(30)28-14-13-27(17-18(28)2)24(29)21-10-9-20-11-12-22(26-23(20)16-21)19-7-5-4-6-8-19/h4-12,16,18H,3,13-15,17H2,1-2H3/t18-/m1/s1
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| InChIKey |
VDVVQUSACVWHDE-GOSISDBHSA-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