General Information of the Compound
| Compound ID |
CP0396674
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| Compound Name |
N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-6-phenylpyridine-3-carboxamide
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| Structure |
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| Formula |
C21H24N2O2
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| Molecular Weight |
336.435
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| Canonical SMILES |
O=C(N(CC1CC1)CC1CCCO1)c1ccc(nc1)-c1ccccc1
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| InChI |
InChI=1S/C21H24N2O2/c24-21(23(14-16-8-9-16)15-19-7-4-12-25-19)18-10-11-20(22-13-18)17-5-2-1-3-6-17/h1-3,5-6,10-11,13,16,19H,4,7-9,12,14-15H2
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| InChIKey |
FNSBTYOEDDWBCG-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