General Information of the Compound
| Compound ID |
CP0387587
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| Compound Name |
N-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide
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| Structure |
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| Formula |
C26H24N2O2
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| Molecular Weight |
396.49
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| Canonical SMILES |
O=C(N(CC1CCCO1)Cc1ccccc1)c1ccc(cc1)-c1ccccc1C#N
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| InChI |
InChI=1S/C26H24N2O2/c27-17-23-9-4-5-11-25(23)21-12-14-22(15-13-21)26(29)28(19-24-10-6-16-30-24)18-20-7-2-1-3-8-20/h1-5,7-9,11-15,24H,6,10,16,18-19H2
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| InChIKey |
UBAGSUZMCMXWLJ-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