General Information of the Compound
| Compound ID |
CP0377632
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| Compound Name |
ethyl 2-[2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl]oxyacetate
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| Structure |
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| Formula |
C29H28N2O4
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| Molecular Weight |
468.553
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| Canonical SMILES |
CCOC(=O)COc1c(nc2ccccc2c1C(=O)N[C@@H](CC)c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C29H28N2O4/c1-3-23(20-13-7-5-8-14-20)31-29(33)26-22-17-11-12-18-24(22)30-27(21-15-9-6-10-16-21)28(26)35-19-25(32)34-4-2/h5-18,23H,3-4,19H2,1-2H3,(H,31,33)/t23-/m0/s1
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| InChIKey |
RCLLEVTVIPLVMM-QHCPKHFHSA-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