General Information of the Compound
| Compound ID |
CP0457373
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| Compound Name |
N-benzyl-N-(oxolan-2-ylmethyl)-6-phenylpyridine-3-carboxamide
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| Structure |
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| Formula |
C24H24N2O2
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| Molecular Weight |
372.468
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| Canonical SMILES |
O=C(N(CC1CCCO1)Cc1ccccc1)c1ccc(nc1)-c1ccccc1
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| InChI |
InChI=1S/C24H24N2O2/c27-24(21-13-14-23(25-16-21)20-10-5-2-6-11-20)26(18-22-12-7-15-28-22)17-19-8-3-1-4-9-19/h1-6,8-11,13-14,16,22H,7,12,15,17-18H2
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| InChIKey |
NFRCCCDXKVLNIS-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