General Information of the Compound
| Compound ID |
CP0454599
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| Compound Name |
(S)-(2-(hydroxymethyl)-4-(methoxyimino)pyrrolidin-1-yl)(2'-methylbiphenyl-4-yl)methanone
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| Structure |
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| Formula |
C20H22N2O3
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| Molecular Weight |
338.407
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| Canonical SMILES |
CO\N=C1\C[C@@H](CO)N(C1)C(=O)c1ccc(cc1)-c1ccccc1C
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| InChI |
InChI=1S/C20H22N2O3/c1-14-5-3-4-6-19(14)15-7-9-16(10-8-15)20(24)22-12-17(21-25-2)11-18(22)13-23/h3-10,18,23H,11-13H2,1-2H3/b21-17-/t18-/m0/s1
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| InChIKey |
OLUJSZLBWZWGJT-HGBKYHTQSA-N
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| CAS |
643001-52-9
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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: PT01510, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor