General Information of the Compound
| Compound ID |
CP0444823
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| Compound Name |
N-benzyl-4-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzamide
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| Structure |
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| Formula |
C26H27NO3
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| Molecular Weight |
401.506
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| Canonical SMILES |
COc1ccccc1-c1ccc(cc1)C(=O)N(CC1CCCO1)Cc1ccccc1
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| InChI |
InChI=1S/C26H27NO3/c1-29-25-12-6-5-11-24(25)21-13-15-22(16-14-21)26(28)27(19-23-10-7-17-30-23)18-20-8-3-2-4-9-20/h2-6,8-9,11-16,23H,7,10,17-19H2,1H3
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| InChIKey |
ZTVBNZAVVRLFTO-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