General Information of the Compound
| Compound ID |
CP0509034
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| Compound Name |
N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C22H23F3N2O2
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| Molecular Weight |
404.432
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| Canonical SMILES |
FC(F)(F)c1ccccc1-c1ccc(cn1)C(=O)N(CC1CC1)CC1CCCO1
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| InChI |
InChI=1S/C22H23F3N2O2/c23-22(24,25)19-6-2-1-5-18(19)20-10-9-16(12-26-20)21(28)27(13-15-7-8-15)14-17-4-3-11-29-17/h1-2,5-6,9-10,12,15,17H,3-4,7-8,11,13-14H2
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| InChIKey |
RJIKYRXZEMHRSZ-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