General Information of the Compound
| Compound ID |
CP0522388
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| Compound Name |
3-[2-(dimethylamino)ethoxy]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
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| Structure |
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| Formula |
C29H31N3O2
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| Molecular Weight |
453.586
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| Canonical SMILES |
CC[C@H](NC(=O)c1c(OCCN(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H31N3O2/c1-4-24(21-13-7-5-8-14-21)31-29(33)26-23-17-11-12-18-25(23)30-27(22-15-9-6-10-16-22)28(26)34-20-19-32(2)3/h5-18,24H,4,19-20H2,1-3H3,(H,31,33)/t24-/m0/s1
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| InChIKey |
OURRYXSKJSYVBU-DEOSSOPVSA-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