General Information of the Compound
| Compound ID |
CP0465157
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| Compound Name |
3-(2-aminoethoxy)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
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| Structure |
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| Formula |
C27H27N3O2
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| Molecular Weight |
425.532
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| Canonical SMILES |
CC[C@H](NC(=O)c1c(OCCN)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C27H27N3O2/c1-2-22(19-11-5-3-6-12-19)30-27(31)24-21-15-9-10-16-23(21)29-25(26(24)32-18-17-28)20-13-7-4-8-14-20/h3-16,22H,2,17-18,28H2,1H3,(H,30,31)/t22-/m0/s1
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| InChIKey |
ABPUPHVEUMCNPO-QFIPXVFZSA-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