General Information of the Compound
| Compound ID |
CP0400046
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| Compound Name |
N-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide
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| Structure |
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| Formula |
C23H26FNO2
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| Molecular Weight |
367.464
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| Canonical SMILES |
Cc1cc(F)ccc1-c1ccc(cc1)C(=O)N(CC1CC1)CC1CCCO1
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| InChI |
InChI=1S/C23H26FNO2/c1-16-13-20(24)10-11-22(16)18-6-8-19(9-7-18)23(26)25(14-17-4-5-17)15-21-3-2-12-27-21/h6-11,13,17,21H,2-5,12,14-15H2,1H3
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| InChIKey |
UEQMWQDRMSYCRT-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