General Information of the Compound
| Compound ID |
CP0457371
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| Compound Name |
N-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide
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| Structure |
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| Formula |
C26H26FNO2
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| Molecular Weight |
403.497
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| Canonical SMILES |
Cc1cc(F)ccc1-c1ccc(cc1)C(=O)N(CC1CCCO1)Cc1ccccc1
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| InChI |
InChI=1S/C26H26FNO2/c1-19-16-23(27)13-14-25(19)21-9-11-22(12-10-21)26(29)28(18-24-8-5-15-30-24)17-20-6-3-2-4-7-20/h2-4,6-7,9-14,16,24H,5,8,15,17-18H2,1H3
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| InChIKey |
NYRFRZQRJIRSDI-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
Protein ID: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor