General Information of the Compound
| Compound ID |
CP0421882
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| Compound Name |
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-4-[3-(3-pentylphenyl)phenyl]butanamide
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| Structure |
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| Formula |
C31H36N2O2
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| Molecular Weight |
468.641
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| Canonical SMILES |
CCCCCc1cccc(c1)-c1cccc(CCCC(=O)NCCc2c[nH]c3ccc(O)cc23)c1
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| InChI |
InChI=1S/C31H36N2O2/c1-2-3-4-8-23-9-5-12-25(19-23)26-13-6-10-24(20-26)11-7-14-31(35)32-18-17-27-22-33-30-16-15-28(34)21-29(27)30/h5-6,9-10,12-13,15-16,19-22,33-34H,2-4,7-8,11,14,17-18H2,1H3,(H,32,35)
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| InChIKey |
HPQSPNUNSDIZNW-UHFFFAOYSA-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