General Information of the Compound
| Compound ID |
CP0498277
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| Compound Name |
2-phenyl-N-[(1S)-1-phenylpropyl]-3-(2-pyrrolidin-1-ylethoxy)quinoline-4-carboxamide
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| Structure |
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| Formula |
C31H33N3O2
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| Molecular Weight |
479.624
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| Canonical SMILES |
CC[C@H](NC(=O)c1c(OCCN2CCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H33N3O2/c1-2-26(23-13-5-3-6-14-23)33-31(35)28-25-17-9-10-18-27(25)32-29(24-15-7-4-8-16-24)30(28)36-22-21-34-19-11-12-20-34/h3-10,13-18,26H,2,11-12,19-22H2,1H3,(H,33,35)/t26-/m0/s1
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| InChIKey |
CKOBJKXFKZEPEL-SANMLTNESA-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