General Information of the Compound
| Compound ID |
CP0475084
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| Compound Name |
N-benzyl-4-(2-methoxy-5-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide
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| Structure |
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| Formula |
C27H29NO3
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| Molecular Weight |
415.533
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| Canonical SMILES |
COc1ccc(C)cc1-c1ccc(cc1)C(=O)N(CC1CCCO1)Cc1ccccc1
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| InChI |
InChI=1S/C27H29NO3/c1-20-10-15-26(30-2)25(17-20)22-11-13-23(14-12-22)27(29)28(19-24-9-6-16-31-24)18-21-7-4-3-5-8-21/h3-5,7-8,10-15,17,24H,6,9,16,18-19H2,1-2H3
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| InChIKey |
UPJLCXDCWKICBQ-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