General Information of the Compound
| Compound ID |
CP0374401
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| Compound Name |
(+/-)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine]-1'-yl)propyl)-2-(3,4-difluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
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| Structure |
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| Formula |
C28H33F2N3O3
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| Molecular Weight |
497.586
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| Canonical SMILES |
CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(N1CCCC1=O)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C28H33F2N3O3/c1-31(27(35)26(33-15-4-8-25(33)34)20-9-10-23(29)24(30)18-20)13-5-14-32-16-11-28(12-17-32)22-7-3-2-6-21(22)19-36-28/h2-3,6-7,9-10,18,26H,4-5,8,11-17,19H2,1H3
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| InChIKey |
XFNDMVROQNGSOY-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01027, Melanin-concentrating hormone receptor 1