General Information of the Compound
| Compound ID |
CP0434297
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| Compound Name |
N-benzyl-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C25H23F3N2O2
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| Molecular Weight |
440.465
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| Canonical SMILES |
FC(F)(F)c1cccnc1-c1ccc(cc1)C(=O)N(CC1CCCO1)Cc1ccccc1
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| InChI |
InChI=1S/C25H23F3N2O2/c26-25(27,28)22-9-4-14-29-23(22)19-10-12-20(13-11-19)24(31)30(17-21-8-5-15-32-21)16-18-6-2-1-3-7-18/h1-4,6-7,9-14,21H,5,8,15-17H2
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| InChIKey |
RRCKWKQIWXVACQ-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